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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H12O2
Molecular Weight 164.2011
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THUJIC ACID

SMILES

CC1(C)C=CC=C(C=C1)C(O)=O

InChI

InChIKey=JHHXPQAUADQJBQ-UHFFFAOYSA-N
InChI=1S/C10H12O2/c1-10(2)6-3-4-8(5-7-10)9(11)12/h3-7H,1-2H3,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C10H12O2
Molecular Weight 164.2011
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:47:23 GMT 2023
Edited
by admin
on Fri Dec 15 19:47:23 GMT 2023
Record UNII
8P6RC5945T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THUJIC ACID
INCI   MI  
INCI  
Official Name English
DEHYDROPERILLIC ACID
Common Name English
THUJIC ACID [MI]
Common Name English
THUJIC ACID [INCI]
Common Name English
5,5-DIMETHYL-1,3,6-CYCLOHEPTATRIENE-1-CARBOXYLIC ACID
Systematic Name English
NSC-36728
Code English
Code System Code Type Description
EPA CompTox
DTXSID20198150
Created by admin on Fri Dec 15 19:47:23 GMT 2023 , Edited by admin on Fri Dec 15 19:47:23 GMT 2023
PRIMARY
FDA UNII
8P6RC5945T
Created by admin on Fri Dec 15 19:47:23 GMT 2023 , Edited by admin on Fri Dec 15 19:47:23 GMT 2023
PRIMARY
MERCK INDEX
m10815
Created by admin on Fri Dec 15 19:47:23 GMT 2023 , Edited by admin on Fri Dec 15 19:47:23 GMT 2023
PRIMARY Merck Index
MESH
C003462
Created by admin on Fri Dec 15 19:47:23 GMT 2023 , Edited by admin on Fri Dec 15 19:47:23 GMT 2023
PRIMARY
CAS
499-89-8
Created by admin on Fri Dec 15 19:47:23 GMT 2023 , Edited by admin on Fri Dec 15 19:47:23 GMT 2023
PRIMARY
PUBCHEM
72620
Created by admin on Fri Dec 15 19:47:23 GMT 2023 , Edited by admin on Fri Dec 15 19:47:23 GMT 2023
PRIMARY
NSC
36728
Created by admin on Fri Dec 15 19:47:23 GMT 2023 , Edited by admin on Fri Dec 15 19:47:23 GMT 2023
PRIMARY