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Aliphatic and alicyclic building blocks

Isonitrinic acid E

Also known as (+)-3-(4-Isocyano-6-oxabicyclo(3.1.0)hex-3-en-1-yl)-2-propenoic acid, 2-Propenoic acid, 3-(4-isocyano-6-oxabicyclo(3.1.0)hex-3-en-1-yl)-, (+)-

CAS 83016-51-7Formula C9H7NO3Molar mass 177.16 g/mol
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Isonitrinic acid E chemical structure, C9H7NO3, CAS 83016-51-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
83016-51-7
Formula
C9H7NO3
Molar mass
177.16 g/mol
HS code
292990
Category
Aliphatic and alicyclic building blocks

What is Isonitrinic acid E?

Plain description, key identifiers and synonyms

Isonitrinic acid E is a chemical substance with the molecular formula C9H7NO3 and a molar mass of 177.16 g/mol. Its CAS registry number is 83016-51-7. The IUPAC name is (E)-3-(4-isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)prop-2-enoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-3-(4-isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)prop-2-enoic acid
CAS number
83016-51-7
Molecular formula
C9H7NO3
InChIKey
NWXXRSALAADDFI-HWKANZROSA-N
InChI
InChI=1S/C9H7NO3/c1-10-6-2-4-9(8(6)13-9)5-3-7(11)12/h2-3,5,8H,4H2,(H,11,12)/b5-3+
Canonical SMILES
[C-]#[N+]C1=CCC2(C=CC(=O)O)OC12
Isomeric SMILES
[C-]#[N+]C1=CCC2(C1O2)/C=C/C(=O)O

Synonyms

  • (+)-3-(4-Isocyano-6-oxabicyclo(3.1.0)hex-3-en-1-yl)-2-propenoic acid
  • 2-Propenoic acid, 3-(4-isocyano-6-oxabicyclo(3.1.0)hex-3-en-1-yl)-, (+)-

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
177.16 g/molcalc.
Exact mass
177.0426 Dacalc.
LogP (octanol/water)
0.97calc.
Topological polar surface area
54.19 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
13calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1=CC2OC2C1

C1=CC2OC2C1

2 rings, 6 atoms, the 6-Oxabicyclo[3.1.0]hex-2-ene ring system.

7 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Isonitrinic acid E suppliers

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Isonitrinic acid E price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Isonitrinic acid E is traded under.

HS 2929.90Indicative HS code

Compounds with other nitrogen function, other

World exports in 2024
$712M
+1.5% vs 2023, imports $703M
2019 to 2024
Top exporters
  1. China32.1%
  2. South Korea18.0%
  3. Germany13.3%
Top importers
  1. United States19.3%
  2. Japan8.0%
  3. China7.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Isonitrinic acid E is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Isonitrinic acid E, based on the data on this page

What is Isonitrinic acid E?

Isonitrinic acid E is a chemical substance with the molecular formula C9H7NO3 and a molar mass of 177.16 g/mol. Its CAS registry number is 83016-51-7. The IUPAC name is (E)-3-(4-isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)prop-2-enoic acid.

What is the CAS number of Isonitrinic acid E?

The CAS registry number of Isonitrinic acid E is 83016-51-7.

What is the molecular formula and weight of Isonitrinic acid E?

The molecular formula of Isonitrinic acid E is C9H7NO3 and its molar mass is 177.16 g/mol.

What is Isonitrinic acid E used for?

Known uses and roles of Isonitrinic acid E include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Isonitrinic acid E hazardous?

No GHS hazard classification for Isonitrinic acid E is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Isonitrinic acid E?

Isonitrinic acid E is usually classified under HS code 292990 (Compounds with other nitrogen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isonitrinic acid E?

Post a free request on CompoundList and suppliers of Isonitrinic acid E will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Isonitrinic acid E?

Suppliers quote Isonitrinic acid E on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Isonitrinic acid E

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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