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, (S)-

SMILES

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

InChI

InChIKey=RVWKOGKZZRIQEW-MRVPVSSYSA-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-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(-)-PHELLANDRIC ACID
Preferred Name English
PHELLANDRIC ACID, (S)-
Common Name English
L-PHELLANDRIC ACID
Common Name English
1-CYCLOHEXENE-1-CARBOXYLIC ACID, 4-(1-METHYLETHYL)-, (4S)-
Systematic Name English
(4S)-4-(1-METHYLETHYL)-1-CYCLOHEXENE-1-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
CAS
135355-08-7
Created by admin on Mon Mar 31 23:00:46 GMT 2025 , Edited by admin on Mon Mar 31 23:00:46 GMT 2025
PRIMARY
FDA UNII
T8C1BBJ77X
Created by admin on Mon Mar 31 23:00:46 GMT 2025 , Edited by admin on Mon Mar 31 23:00:46 GMT 2025
PRIMARY
PUBCHEM
12305142
Created by admin on Mon Mar 31 23:00:46 GMT 2025 , Edited by admin on Mon Mar 31 23:00:46 GMT 2025
PRIMARY