((5-OXO-5H-BENZO(A)CYCLOHEPTEN-4-YL)OXY)ACETIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H10O4
Molecular Weight	230.2161
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ((5-OXO-5H-BENZO(A)CYCLOHEPTEN-4-YL)OXY)ACETIC ACID

Structure Search

SMILES

OC(=O)COC1=CC=CC2=C1C(=O)C=CC=C2

InChI

InChIKey=MMYVODITJBQRBR-UHFFFAOYSA-N

InChI=1S/C13H10O4/c14-10-6-2-1-4-9-5-3-7-11(13(9)10)17-8-12(15)16/h1-7H,8H2,(H,15,16)

HIDE SMILES / InChI

Molecular Formula	C13H10O4
Molecular Weight	230.2161
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 19:36:37 GMT 2025` Edited by `admin` on `Tue Apr 01 19:36:37 GMT 2025`
Record UNII	69N9JD028H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-680712

Preferred Name

English

((5-OXO-5H-BENZO(A)CYCLOHEPTEN-4-YL)OXY)ACETIC ACID

Systematic Name

English

ACETIC ACID, 2-((5-OXO-5H-BENZOCYCLOHEPTEN-4-YL)OXY)-

Systematic Name

English

ACETIC ACID, ((5-OXO-5H-BENZOCYCLOHEPTEN-4-YL)OXY)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

387176

Created by admin on Tue Apr 01 19:36:37 GMT 2025 , Edited by admin on Tue Apr 01 19:36:37 GMT 2025

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EPA CompTox

DTXSID10154169

Created by admin on Tue Apr 01 19:36:37 GMT 2025 , Edited by admin on Tue Apr 01 19:36:37 GMT 2025

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NSC

680712

Created by admin on Tue Apr 01 19:36:37 GMT 2025 , Edited by admin on Tue Apr 01 19:36:37 GMT 2025

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FDA UNII

69N9JD028H

Created by admin on Tue Apr 01 19:36:37 GMT 2025 , Edited by admin on Tue Apr 01 19:36:37 GMT 2025

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CAS

123958-40-7

Created by admin on Tue Apr 01 19:36:37 GMT 2025 , Edited by admin on Tue Apr 01 19:36:37 GMT 2025

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