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Details

Stereochemistry ACHIRAL
Molecular Formula C10H15NO2
Molecular Weight 181.2316
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ETHYL 2-CYANO-3-METHYLHEX-2-ENOATE

SMILES

CCC\C(C)=C(/C#N)C(=O)OCC

InChI

InChIKey=WSQKZATUBMGUQX-CMDGGOBGSA-N
InChI=1S/C10H15NO2/c1-4-6-8(3)9(7-11)10(12)13-5-2/h4-6H2,1-3H3/b9-8+

HIDE SMILES / InChI

Molecular Formula C10H15NO2
Molecular Weight 181.2316
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 18:28:23 GMT 2023
Edited
by admin
on Sat Dec 16 18:28:23 GMT 2023
Record UNII
V5Y4AZP9Y7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL 2-CYANO-3-METHYLHEX-2-ENOATE
Systematic Name English
Ethyl (2E)-2-cyano-3-methyl-2-hexenoate
Systematic Name English
2-Hexenoic acid, 2-cyano-3-methyl-, ethyl ester, (2E)-
Systematic Name English
2-Cyano-3-methyl-hex-2-enoic acid ethyl ester
Common Name English
NSC-408230
Code English
2-Hexenoic acid, 2-cyano-3-methyl-, ethyl ester
Common Name English
Code System Code Type Description
CAS
1086219-97-7
Created by admin on Sat Dec 16 18:28:23 GMT 2023 , Edited by admin on Sat Dec 16 18:28:23 GMT 2023
PRIMARY
NSC
408230
Created by admin on Sat Dec 16 18:28:23 GMT 2023 , Edited by admin on Sat Dec 16 18:28:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID601032773
Created by admin on Sat Dec 16 18:28:23 GMT 2023 , Edited by admin on Sat Dec 16 18:28:23 GMT 2023
PRIMARY
FDA UNII
V5Y4AZP9Y7
Created by admin on Sat Dec 16 18:28:23 GMT 2023 , Edited by admin on Sat Dec 16 18:28:23 GMT 2023
PRIMARY
PUBCHEM
3034647
Created by admin on Sat Dec 16 18:28:23 GMT 2023 , Edited by admin on Sat Dec 16 18:28:23 GMT 2023
PRIMARY
CAS
759-54-6
Created by admin on Sat Dec 16 18:28:23 GMT 2023 , Edited by admin on Sat Dec 16 18:28:23 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY