5,7-DIMETHYLCOUMARIN

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H10O2
Molecular Weight	174.1959
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5,7-DIMETHYLCOUMARIN

Structure Search

SMILES

CC1=CC2=C(C=CC(=O)O2)C(C)=C1

InChI

InChIKey=LSVVSAUXNLDZOX-UHFFFAOYSA-N

InChI=1S/C11H10O2/c1-7-5-8(2)9-3-4-11(12)13-10(9)6-7/h3-6H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C11H10O2
Molecular Weight	174.1959
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 `Tue Apr 01 16:48:45 GMT 2025` Edited by `admin` on `Tue Apr 01 16:48:45 GMT 2025`
Record UNII	II2R3NWK87
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-28554

Preferred Name

English

5,7-DIMETHYLCOUMARIN

Systematic Name

English

5,7-DIMETHYL-2H-1-BENZOPYRAN-2-ONE

Systematic Name

English

COUMARIN, 5,7-DIMETHYL-

Systematic Name

English

2H-1-BENZOPYRAN-2-ONE, 5,7-DIMETHYL-

Systematic Name

English

Code System Code Type Description

FDA UNII

II2R3NWK87

Created by admin on Tue Apr 01 16:48:45 GMT 2025 , Edited by admin on Tue Apr 01 16:48:45 GMT 2025

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NSC

28554

Created by admin on Tue Apr 01 16:48:45 GMT 2025 , Edited by admin on Tue Apr 01 16:48:45 GMT 2025

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EPA CompTox

DTXSID50161216

Created by admin on Tue Apr 01 16:48:45 GMT 2025 , Edited by admin on Tue Apr 01 16:48:45 GMT 2025

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CAS

14002-99-4

Created by admin on Tue Apr 01 16:48:45 GMT 2025 , Edited by admin on Tue Apr 01 16:48:45 GMT 2025

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PUBCHEM

95665

Created by admin on Tue Apr 01 16:48:45 GMT 2025 , Edited by admin on Tue Apr 01 16:48:45 GMT 2025

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