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Details

Stereochemistry ACHIRAL
Molecular Formula C11H20O2
Molecular Weight 184.2753
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Heptyl crotonate

SMILES

CCCCCCCOC(=O)\C=C\C

InChI

InChIKey=DOBPEHKISOHXTE-RUDMXATFSA-N
InChI=1S/C11H20O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h4,9H,3,5-8,10H2,1-2H3/b9-4+

HIDE SMILES / InChI

Molecular Formula C11H20O2
Molecular Weight 184.2753
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 12:11:48 GMT 2023
Edited
by admin
on Sat Dec 16 12:11:48 GMT 2023
Record UNII
9TV43VH32L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Heptyl crotonate
Systematic Name English
2-Butenoic acid, heptyl ester, (2E)-
Systematic Name English
Crotonic acid heptyl ester
Systematic Name English
Heptyl (2E)-2-butenoate
Systematic Name English
Heptyl 2-butenoate
Systematic Name English
Crotonic acid, heptyl ester
Systematic Name English
2-Butenoic acid, heptyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
9TV43VH32L
Created by admin on Sat Dec 16 12:11:48 GMT 2023 , Edited by admin on Sat Dec 16 12:11:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID8066135
Created by admin on Sat Dec 16 12:11:48 GMT 2023 , Edited by admin on Sat Dec 16 12:11:48 GMT 2023
PRIMARY
CAS
16930-99-7
Created by admin on Sat Dec 16 12:11:48 GMT 2023 , Edited by admin on Sat Dec 16 12:11:48 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
ECHA (EC/EINECS)
240-999-2
Created by admin on Sat Dec 16 12:11:48 GMT 2023 , Edited by admin on Sat Dec 16 12:11:48 GMT 2023
PRIMARY
CAS
18708-84-4
Created by admin on Sat Dec 16 12:11:48 GMT 2023 , Edited by admin on Sat Dec 16 12:11:48 GMT 2023
PRIMARY
PUBCHEM
6365864
Created by admin on Sat Dec 16 12:11:48 GMT 2023 , Edited by admin on Sat Dec 16 12:11:48 GMT 2023
PRIMARY
PUBCHEM
86095
Created by admin on Sat Dec 16 12:11:48 GMT 2023 , Edited by admin on Sat Dec 16 12:11:48 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY