2-CYANO-3-PHENYLCROTONIC ACID ETHYL ESTER

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H13NO2
Molecular Weight	215.2478
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-CYANO-3-PHENYLCROTONIC ACID ETHYL ESTER

Structure Search

SMILES

CCOC(=O)C(\C#N)=C(\C)C1=CC=CC=C1

InChI

InChIKey=AJDOTEWSLNGINB-BENRWUELSA-N

InChI=1S/C13H13NO2/c1-3-16-13(15)12(9-14)10(2)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3/b12-10-

HIDE SMILES / InChI

Molecular Formula	C13H13NO2
Molecular Weight	215.2478
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:57:20 GMT 2023` Edited by `admin` on `Sat Dec 16 12:57:20 GMT 2023`
Record UNII	9429M24CJB
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2-CYANO-3-PHENYLCROTONIC ACID ETHYL ESTER

Systematic Name

English

NSC-408236

Code

English

CROTONIC ACID, 2-CYANO-3-PHENYL-, ETHYL ESTER

Systematic Name

English

2-BUTENOIC ACID, 2-CYANO-3-PHENYL-, ETHYL ESTER

Systematic Name

English

Code System Code Type Description

FDA UNII

9429M24CJB

Created by admin on Sat Dec 16 12:57:20 GMT 2023 , Edited by admin on Sat Dec 16 12:57:20 GMT 2023

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EPA CompTox

DTXSID301298069

Created by admin on Sat Dec 16 12:57:20 GMT 2023 , Edited by admin on Sat Dec 16 12:57:20 GMT 2023

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PUBCHEM

688203

Created by admin on Sat Dec 16 12:57:20 GMT 2023 , Edited by admin on Sat Dec 16 12:57:20 GMT 2023

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NSC

408236

Created by admin on Sat Dec 16 12:57:20 GMT 2023 , Edited by admin on Sat Dec 16 12:57:20 GMT 2023

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CAS

18300-89-5

Created by admin on Sat Dec 16 12:57:20 GMT 2023 , Edited by admin on Sat Dec 16 12:57:20 GMT 2023

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