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Details

Stereochemistry ACHIRAL
Molecular Formula C8H11ClO
Molecular Weight 158.625
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-CHLORO-5,5-DIMETHYL-2-CYCLOHEXEN-1-ONE

SMILES

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

InChI

InChIKey=PJYTYJGMJDIKEJ-UHFFFAOYSA-N
InChI=1S/C8H11ClO/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5H2,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2-CYCLOHEXEN-1-ONE, 3-CHLORO-5,5-DIMETHYL-
Preferred Name English
3-CHLORO-5,5-DIMETHYL-2-CYCLOHEXEN-1-ONE
Systematic Name English
5,5-DIMETHYL-3-CHLOROCYCLOHEX-2-ENONE
Systematic Name English
3-CHLORO-5,5-DIMETHYLCYCLOHEX-2-ENONE
Systematic Name English
3-CHLORO-5,5-DIMETHYLCYCLOHEX-2-ENE-1-ONE
Systematic Name English
Code System Code Type Description
CAS
17530-69-7
Created by admin on Mon Mar 31 19:03:04 GMT 2025 , Edited by admin on Mon Mar 31 19:03:04 GMT 2025
PRIMARY
FDA UNII
E73W928G5O
Created by admin on Mon Mar 31 19:03:04 GMT 2025 , Edited by admin on Mon Mar 31 19:03:04 GMT 2025
PRIMARY
EPA CompTox
DTXSID20169966
Created by admin on Mon Mar 31 19:03:04 GMT 2025 , Edited by admin on Mon Mar 31 19:03:04 GMT 2025
PRIMARY
PUBCHEM
140243
Created by admin on Mon Mar 31 19:03:04 GMT 2025 , Edited by admin on Mon Mar 31 19:03:04 GMT 2025
PRIMARY
NIH
NCATS
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