LIQCOUMARIN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H10O4
Molecular Weight	218.2054
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)C1=C(O)C2=C(OC(=O)C=C2C)C=C1

InChI

InChIKey=UMNMVZFOKSPTJN-UHFFFAOYSA-N

InChI=1S/C12H10O4/c1-6-5-10(14)16-9-4-3-8(7(2)13)12(15)11(6)9/h3-5,15H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H10O4
Molecular Weight	218.2054
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:28:28 UTC 2023` Edited by `admin` on `Sat Dec 16 09:28:28 UTC 2023`
Record UNII	6VBS1TD9FZ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

LIQCOUMARIN

Common Name

English

COUMARIN, 6-ACETYL-5-HYDROXY-4-METHYL-

Systematic Name

English

2H-1-BENZOPYRAN-2-ONE, 6-ACETYL-5-HYDROXY-4-METHYL-

Systematic Name

English

6-ACETYL-5-HYDROXY-4-METHYLCOUMARIN

Systematic Name

English

Code System Code Type Description

CAS

36695-19-9

Created by admin on Sat Dec 16 09:28:28 UTC 2023 , Edited by admin on Sat Dec 16 09:28:28 UTC 2023

PRIMARY

FDA UNII

6VBS1TD9FZ

Created by admin on Sat Dec 16 09:28:28 UTC 2023 , Edited by admin on Sat Dec 16 09:28:28 UTC 2023

PRIMARY

PUBCHEM

11378967

Created by admin on Sat Dec 16 09:28:28 UTC 2023 , Edited by admin on Sat Dec 16 09:28:28 UTC 2023

PRIMARY

EPA CompTox

DTXSID201235335

Created by admin on Sat Dec 16 09:28:28 UTC 2023 , Edited by admin on Sat Dec 16 09:28:28 UTC 2023

PRIMARY

Related Record Type Details


					2788Z9758H

GLYCYRRHIZA GLABRA

PARENT -> CONSTITUENT ALWAYS PRESENT