2-Methyl-5-oxocyclopent-1-en-1-yl phenylacetate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H14O3
Molecular Weight	230.2592
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Methyl-5-oxocyclopent-1-en-1-yl phenylacetate

Structure Search

SMILES

CC1=C(OC(=O)CC2=CC=CC=C2)C(=O)CC1

InChI

InChIKey=NDZKPFBZWOSZAG-UHFFFAOYSA-N

InChI=1S/C14H14O3/c1-10-7-8-12(15)14(10)17-13(16)9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3

HIDE SMILES / InChI

Molecular Formula	C14H14O3
Molecular Weight	230.2592
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 18:48:45 GMT 2025` Edited by `admin` on `Tue Apr 01 18:48:45 GMT 2025`
Record UNII	H5W95AY26C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Methyl-5-oxo-1-cyclopenten-1-yl benzeneacetate

Preferred Name

English

2-Methyl-5-oxocyclopent-1-en-1-yl phenylacetate

Systematic Name

English

Benzeneacetic acid, 2-methyl-5-oxo-1-cyclopenten-1-yl ester

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

303-861-3

Created by admin on Tue Apr 01 18:48:45 GMT 2025 , Edited by admin on Tue Apr 01 18:48:45 GMT 2025

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FDA UNII

H5W95AY26C

Created by admin on Tue Apr 01 18:48:45 GMT 2025 , Edited by admin on Tue Apr 01 18:48:45 GMT 2025

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CAS

94231-44-4

Created by admin on Tue Apr 01 18:48:45 GMT 2025 , Edited by admin on Tue Apr 01 18:48:45 GMT 2025

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EPA CompTox

DTXSID50241123

Created by admin on Tue Apr 01 18:48:45 GMT 2025 , Edited by admin on Tue Apr 01 18:48:45 GMT 2025

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PUBCHEM

16206070

Created by admin on Tue Apr 01 18:48:45 GMT 2025 , Edited by admin on Tue Apr 01 18:48:45 GMT 2025

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