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Details

Stereochemistry ACHIRAL
Molecular Formula C11H12O2
Molecular Weight 176.2118
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BENZYL ISOCROTONATE

SMILES

C\C=C/C(=O)OCC1=CC=CC=C1

InChI

InChIKey=NCPTYZLUYHXITE-KXFIGUGUSA-N
InChI=1S/C11H12O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h2-8H,9H2,1H3/b6-2-

HIDE SMILES / InChI

Molecular Formula C11H12O2
Molecular Weight 176.2118
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 04:50:07 GMT 2023
Edited
by admin
on Sat Dec 16 04:50:07 GMT 2023
Record UNII
FM79KZL3BZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZYL ISOCROTONATE
Systematic Name English
ISOCROTONIC ACID BENZYL ESTER
MI  
Systematic Name English
2-BUTENOIC ACID, PHENYLMETHYL ESTER, (Z)-
Common Name English
ISOCROTONIC ACID, BENZYL ESTER
Common Name English
BENZYL CROTONATE, (Z)-
Systematic Name English
ISOCROTONIC ACID BENZYL ESTER [MI]
Common Name English
Code System Code Type Description
MERCK INDEX
m6479
Created by admin on Sat Dec 16 04:50:07 GMT 2023 , Edited by admin on Sat Dec 16 04:50:07 GMT 2023
PRIMARY Merck Index
FDA UNII
FM79KZL3BZ
Created by admin on Sat Dec 16 04:50:07 GMT 2023 , Edited by admin on Sat Dec 16 04:50:07 GMT 2023
PRIMARY
CAS
92758-75-3
Created by admin on Sat Dec 16 04:50:07 GMT 2023 , Edited by admin on Sat Dec 16 04:50:07 GMT 2023
PRIMARY
PUBCHEM
57731298
Created by admin on Sat Dec 16 04:50:07 GMT 2023 , Edited by admin on Sat Dec 16 04:50:07 GMT 2023
PRIMARY