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Details

Stereochemistry RACEMIC
Molecular Formula C10H15NO
Molecular Weight 165.2322
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-CYANO-3,5,5-TRIMETHYLCYCLOHEXANONE

SMILES

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

InChI

InChIKey=JJDFVIDVSCYKDS-UHFFFAOYSA-N
InChI=1S/C10H15NO/c1-9(2)4-8(12)5-10(3,6-9)7-11/h4-6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C10H15NO
Molecular Weight 165.2322
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:55:30 GMT 2023
Edited
by admin
on Sat Dec 16 07:55:30 GMT 2023
Record UNII
0IBM7D6DSA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-CYANO-3,5,5-TRIMETHYLCYCLOHEXANONE
Systematic Name English
NSC-171143
Code English
CYCLOHEXANECARBONITRILE, 1,3,3-TRIMETHYL-5-OXO-
Systematic Name English
1,3,3-TRIMETHYL-5-OXOCYCLOHEXANE-1-CARBONITRILE
Systematic Name English
J23.556C
Code English
ISOPHORONENITRILE
Common Name English
Code System Code Type Description
CAS
7027-11-4
Created by admin on Sat Dec 16 07:55:30 GMT 2023 , Edited by admin on Sat Dec 16 07:55:30 GMT 2023
PRIMARY
ECHA (EC/EINECS)
411-490-4
Created by admin on Sat Dec 16 07:55:30 GMT 2023 , Edited by admin on Sat Dec 16 07:55:30 GMT 2023
PRIMARY
PUBCHEM
99068
Created by admin on Sat Dec 16 07:55:30 GMT 2023 , Edited by admin on Sat Dec 16 07:55:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID8029284
Created by admin on Sat Dec 16 07:55:30 GMT 2023 , Edited by admin on Sat Dec 16 07:55:30 GMT 2023
PRIMARY
NSC
171143
Created by admin on Sat Dec 16 07:55:30 GMT 2023 , Edited by admin on Sat Dec 16 07:55:30 GMT 2023
PRIMARY
FDA UNII
0IBM7D6DSA
Created by admin on Sat Dec 16 07:55:30 GMT 2023 , Edited by admin on Sat Dec 16 07:55:30 GMT 2023
PRIMARY