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

Details

Stereochemistry ABSOLUTE
Molecular Formula C8H12O4
Molecular Weight 172.1785
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2-Cyclohexanedicarboxylic acid, (1S,2S)-

SMILES

OC(=O)[C@H]1CCCC[C@@H]1C(O)=O

InChI

InChIKey=QSAWQNUELGIYBC-WDSKDSINSA-N
InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1,2-Cyclohexanedicarboxylic acid, (1S,2S)-
Systematic Name English
(+)-trans-1,2-Cyclohexanedicarboxylic acid
Preferred Name English
(1S,2S)-1,2-Cyclohexanedicarboxylic acid
Systematic Name English
Code System Code Type Description
FDA UNII
PS6WHY53Z5
Created by admin on Wed Apr 02 20:24:13 GMT 2025 , Edited by admin on Wed Apr 02 20:24:13 GMT 2025
PRIMARY
CAS
21963-41-7
Created by admin on Wed Apr 02 20:24:13 GMT 2025 , Edited by admin on Wed Apr 02 20:24:13 GMT 2025
PRIMARY
PUBCHEM
75315
Created by admin on Wed Apr 02 20:24:13 GMT 2025 , Edited by admin on Wed Apr 02 20:24:13 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966