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Details

Stereochemistry ACHIRAL
Molecular Formula C9H12O
Molecular Weight 136.191
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4,4-Trimethyl-2,5-cyclohexadienone

SMILES

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

InChI

InChIKey=XWYNZKIPFPUMPJ-UHFFFAOYSA-N
InChI=1S/C9H12O/c1-7-6-8(10)4-5-9(7,2)3/h4-6H,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
3,4,4-Trimethyl-2,5-cyclohexadienone
Systematic Name English
2,5-Cyclohexadien-1-one, 3,4,4-trimethyl-
Systematic Name English
3,4,4-Trimethylcyclohexa-2,5-dien-1-one
Systematic Name English
3,4,4-Trimethyl-2,5-cyclohexadien-1-one
Systematic Name English
NSC-171276
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20305625
Created by admin on Sat Dec 16 19:27:22 GMT 2023 , Edited by admin on Sat Dec 16 19:27:22 GMT 2023
PRIMARY
PUBCHEM
298910
Created by admin on Sat Dec 16 19:27:22 GMT 2023 , Edited by admin on Sat Dec 16 19:27:22 GMT 2023
PRIMARY
NSC
171276
Created by admin on Sat Dec 16 19:27:22 GMT 2023 , Edited by admin on Sat Dec 16 19:27:22 GMT 2023
PRIMARY
CAS
17429-31-1
Created by admin on Sat Dec 16 19:27:22 GMT 2023 , Edited by admin on Sat Dec 16 19:27:22 GMT 2023
PRIMARY
FDA UNII
RB9KZR8YH8
Created by admin on Sat Dec 16 19:27:22 GMT 2023 , Edited by admin on Sat Dec 16 19:27:22 GMT 2023
PRIMARY
NIH
NCATS
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