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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H16O2
Molecular Weight 168.2328
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHELLANDRIC ACID, (R)-

SMILES

CC(C)[C@@H]1CCC(=CC1)C(O)=O

InChI

InChIKey=RVWKOGKZZRIQEW-QMMMGPOBSA-N
InChI=1S/C10H16O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,7-8H,3-4,6H2,1-2H3,(H,11,12)/t8-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
PHELLANDRIC ACID, (R)-
Common Name English
(+)-PHELLANDRIC ACID
Preferred Name English
1-CYCLOHEXENE-1-CARBOXYLIC ACID, 4-(1-METHYLETHYL)-, (R)-
Systematic Name English
(4R)-4-(1-METHYLETHYL)-1-CYCLOHEXENE-1-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
CC8Y2E143I
Created by admin on Wed Apr 02 03:58:40 GMT 2025 , Edited by admin on Wed Apr 02 03:58:40 GMT 2025
PRIMARY
PUBCHEM
130944939
Created by admin on Wed Apr 02 03:58:40 GMT 2025 , Edited by admin on Wed Apr 02 03:58:40 GMT 2025
PRIMARY
CAS
13837-55-3
Created by admin on Wed Apr 02 03:58:40 GMT 2025 , Edited by admin on Wed Apr 02 03:58:40 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