U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H20O3
Molecular Weight 212.2854
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 12-oxododec-9-enoic acid, (Z)-

SMILES

OC(=O)CCCCCCC\C=C/CC=O

InChI

InChIKey=KIHXTOVLSZRTHJ-ALCCZGGFSA-N
InChI=1S/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h5,7,11H,1-4,6,8-10H2,(H,14,15)/b7-5-

HIDE SMILES / InChI

Molecular Formula C12H20O3
Molecular Weight 212.2854
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 Wed Apr 02 15:03:21 GMT 2025
Edited
by admin
on Wed Apr 02 15:03:21 GMT 2025
Record UNII
DTN7QDY4MR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(9Z)-12-Oxo-9-dodecenoic acid
Preferred Name English
12-oxododec-9-enoic acid, (Z)-
Systematic Name English
(Z)-12-oxododec-9-enoic acid
Systematic Name English
9-Dodecenoic acid, 12-oxo-, (9Z)-
Systematic Name English
12-Oxo-cis-9-dodecenoic acid
Systematic Name English
12-Oxo-9(Z)-dodecenoic acid
Systematic Name English
Code System Code Type Description
FDA UNII
DTN7QDY4MR
Created by admin on Wed Apr 02 15:03:21 GMT 2025 , Edited by admin on Wed Apr 02 15:03:21 GMT 2025
PRIMARY
EPA CompTox
DTXSID001344243
Created by admin on Wed Apr 02 15:03:21 GMT 2025 , Edited by admin on Wed Apr 02 15:03:21 GMT 2025
PRIMARY
PUBCHEM
9548789
Created by admin on Wed Apr 02 15:03:21 GMT 2025 , Edited by admin on Wed Apr 02 15:03:21 GMT 2025
PRIMARY
CAS
60485-39-4
Created by admin on Wed Apr 02 15:03:21 GMT 2025 , Edited by admin on Wed Apr 02 15:03:21 GMT 2025
PRIMARY