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Details

Stereochemistry ACHIRAL
Molecular Formula C8H11BrO
Molecular Weight 203.076
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=LPZGJNIBSGPOED-UHFFFAOYSA-N
InChI=1S/C8H11BrO/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H11BrO
Molecular Weight 203.076
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:10:15 GMT 2023
Edited
by admin
on Fri Dec 15 19:10:15 GMT 2023
Record UNII
8GST9D0140
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-BROMO-5,5-DIMETHYL-2-CYCLOHEXEN-1-ONE
Systematic Name English
3-BROMO-5,5-DIMETHYL-2-CYCLOHEXENONE
Systematic Name English
5,5-DIMETHYL-3-BROMOCYCLOHEX-2-ENONE
Systematic Name English
2-CYCLOHEXEN-1-ONE, 3-BROMO-5,5-DIMETHYL-
Systematic Name English
Code System Code Type Description
CAS
13271-49-3
Created by admin on Fri Dec 15 19:10:15 GMT 2023 , Edited by admin on Fri Dec 15 19:10:15 GMT 2023
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FDA UNII
8GST9D0140
Created by admin on Fri Dec 15 19:10:15 GMT 2023 , Edited by admin on Fri Dec 15 19:10:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID40157724
Created by admin on Fri Dec 15 19:10:15 GMT 2023 , Edited by admin on Fri Dec 15 19:10:15 GMT 2023
PRIMARY
PUBCHEM
139417
Created by admin on Fri Dec 15 19:10:15 GMT 2023 , Edited by admin on Fri Dec 15 19:10:15 GMT 2023
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