Ethyl 4-(3-oxopropyl)benzoate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H14O3
Molecular Weight	206.2378
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl 4-(3-oxopropyl)benzoate

Structure Search

SMILES

CCOC(=O)C1=CC=C(CCC=O)C=C1

InChI

InChIKey=XDGGHWSPLSWRIX-UHFFFAOYSA-N

InChI=1S/C12H14O3/c1-2-15-12(14)11-7-5-10(6-8-11)4-3-9-13/h5-9H,2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula	C12H14O3
Molecular Weight	206.2378
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 `Wed Apr 02 20:12:25 GMT 2025` Edited by `admin` on `Wed Apr 02 20:12:25 GMT 2025`
Record UNII	VVS3BEF53X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(4-Carboethoxyphenyl)propanal

Preferred Name

English

Ethyl 4-(3-oxopropyl)benzoate

Systematic Name

English

4-(3-Oxopropyl)benzoic acid ethyl ester

Systematic Name

English

Ethyl 4-(2-formylethyl)benzoate

Systematic Name

English

Benzoic acid, 4-(3-oxopropyl)-, ethyl ester

Systematic Name

English

Code System Code Type Description

FDA UNII

VVS3BEF53X

Created by admin on Wed Apr 02 20:12:25 GMT 2025 , Edited by admin on Wed Apr 02 20:12:25 GMT 2025

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CAS

151864-81-2

Created by admin on Wed Apr 02 20:12:25 GMT 2025 , Edited by admin on Wed Apr 02 20:12:25 GMT 2025

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PUBCHEM

2757377

Created by admin on Wed Apr 02 20:12:25 GMT 2025 , Edited by admin on Wed Apr 02 20:12:25 GMT 2025

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EPA CompTox

DTXSID20373864

Created by admin on Wed Apr 02 20:12:25 GMT 2025 , Edited by admin on Wed Apr 02 20:12:25 GMT 2025

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