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Details

Stereochemistry RACEMIC
Molecular Formula C13H13NO3
Molecular Weight 231.2472
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Methyl-5-(3-nitrophenyl)-2-cyclohexen-1-one

SMILES

CC1=CC(=O)CC(C1)C2=CC(=CC=C2)[N+]([O-])=O

InChI

InChIKey=QDTJDAROMOFSLU-UHFFFAOYSA-N
InChI=1S/C13H13NO3/c1-9-5-11(8-13(15)6-9)10-3-2-4-12(7-10)14(16)17/h2-4,6-7,11H,5,8H2,1H3

HIDE SMILES / InChI

Molecular Formula C13H13NO3
Molecular Weight 231.2472
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 Wed Apr 02 10:08:31 GMT 2025
Edited
by admin
on Wed Apr 02 10:08:31 GMT 2025
Record UNII
8XAJ354HPG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Cyclohexen-1-one, 3-methyl-5-(3-nitrophenyl)-
Preferred Name English
3-Methyl-5-(3-nitrophenyl)-2-cyclohexen-1-one
Systematic Name English
Code System Code Type Description
PUBCHEM
134123088
Created by admin on Wed Apr 02 10:08:31 GMT 2025 , Edited by admin on Wed Apr 02 10:08:31 GMT 2025
PRIMARY
FDA UNII
8XAJ354HPG
Created by admin on Wed Apr 02 10:08:31 GMT 2025 , Edited by admin on Wed Apr 02 10:08:31 GMT 2025
PRIMARY
CAS
10323-98-5
Created by admin on Wed Apr 02 10:08:31 GMT 2025 , Edited by admin on Wed Apr 02 10:08:31 GMT 2025
PRIMARY