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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 ?-Thujaplicin

SMILES

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

InChI

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

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:53:37 GMT 2025
Edited
by admin
on Mon Mar 31 19:53:37 GMT 2025
Record UNII
CA2K6LJ2BV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Isopropyltropolone
INCI  
Preferred Name English
?-Thujaplicin
Common Name English
NSC-402794
Code English
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-(1-methylethyl)-
Systematic Name English
2-Hydroxy-5-(1-methylethyl)-2,4,6-cycloheptatrien-1-one
Systematic Name English
NSC-18805
Code English
NSC-43338
Code English
Code System Code Type Description
NSC
43338
Created by admin on Mon Mar 31 19:53:37 GMT 2025 , Edited by admin on Mon Mar 31 19:53:37 GMT 2025
PRIMARY
NSC
402794
Created by admin on Mon Mar 31 19:53:37 GMT 2025 , Edited by admin on Mon Mar 31 19:53:37 GMT 2025
PRIMARY
PUBCHEM
12649
Created by admin on Mon Mar 31 19:53:37 GMT 2025 , Edited by admin on Mon Mar 31 19:53:37 GMT 2025
PRIMARY
NSC
18805
Created by admin on Mon Mar 31 19:53:37 GMT 2025 , Edited by admin on Mon Mar 31 19:53:37 GMT 2025
PRIMARY
CAS
672-76-4
Created by admin on Mon Mar 31 19:53:37 GMT 2025 , Edited by admin on Mon Mar 31 19:53:37 GMT 2025
PRIMARY
EPA CompTox
DTXSID2060969
Created by admin on Mon Mar 31 19:53:37 GMT 2025 , Edited by admin on Mon Mar 31 19:53:37 GMT 2025
PRIMARY
FDA UNII
CA2K6LJ2BV
Created by admin on Mon Mar 31 19:53:37 GMT 2025 , Edited by admin on Mon Mar 31 19:53:37 GMT 2025
PRIMARY