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Heterocyclic building blocks

Arnottinin

CAS 53004-79-8Formula C14H14O4Molar mass 246.26 g/mol
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Arnottinin chemical structure, C14H14O4, CAS 53004-79-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
53004-79-8
Formula
C14H14O4
Molar mass
246.26 g/mol
HS code
293220
Category
Heterocyclic building blocks

What is Arnottinin?

Plain description, key identifiers and synonyms

7-Hydroxy-8-(4-hydroxy-3-methylbut-2-enyl)chromen-2-one has been reported in Ammi majus.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
7-hydroxy-8-(4-hydroxy-3-methylbut-2-enyl)chromen-2-one
CAS number
53004-79-8
Molecular formula
C14H14O4
InChIKey
TXAQUMCUNALGRP-UHFFFAOYSA-N
InChI
InChI=1S/C14H14O4/c1-9(8-15)2-5-11-12(16)6-3-10-4-7-13(17)18-14(10)11/h2-4,6-7,15-16H,5,8H2,1H3
SMILES (canonical and isomeric)
CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)O)CO

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
246.26 g/molcalc.
Exact mass
246.0892 Dacalc.
LogP (octanol/water)
1.98calc.
Topological polar surface area
70.67 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
18calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.21calc.
Formal charge
0calc.
Stereocentres
0calc.
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, O=c1ccc2ccccc2o1

O=c1ccc2ccccc2o1

2 rings, 11 atoms, the Coumarin ring system.

3,845 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.

Arnottinin suppliers

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Arnottinin 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 Arnottinin is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Arnottinin, based on the data on this page

What is Arnottinin?

7-Hydroxy-8-(4-hydroxy-3-methylbut-2-enyl)chromen-2-one has been reported in Ammi majus.

What is the CAS number of Arnottinin?

The CAS registry number of Arnottinin is 53004-79-8.

What is the molecular formula and weight of Arnottinin?

The molecular formula of Arnottinin is C14H14O4 and its molar mass is 246.26 g/mol.

What is Arnottinin used for?

Known uses and roles of Arnottinin include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Arnottinin hazardous?

No GHS hazard classification for Arnottinin 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 Arnottinin?

Arnottinin is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Arnottinin?

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

What is the price of Arnottinin?

Suppliers quote Arnottinin 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 Arnottinin

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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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