U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O
Molecular Weight 176.2548
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5'-ISOPROPYL-2'-METHYLACETOPHENONE

SMILES

CC(C)C1=CC(C(C)=O)=C(C)C=C1

InChI

InChIKey=LVNVQCXLRILPCM-UHFFFAOYSA-N
InChI=1S/C12H16O/c1-8(2)11-6-5-9(3)12(7-11)10(4)13/h5-8H,1-4H3

HIDE SMILES / InChI

Molecular Formula C12H16O
Molecular Weight 176.2548
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:36:10 GMT 2023
Edited
by admin
on Fri Dec 15 19:36:10 GMT 2023
Record UNII
3YKN12PCEQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5'-ISOPROPYL-2'-METHYLACETOPHENONE
Systematic Name English
NSC-9414
Code English
Code System Code Type Description
NSC
9414
Created by admin on Fri Dec 15 19:36:10 GMT 2023 , Edited by admin on Fri Dec 15 19:36:10 GMT 2023
PRIMARY
FDA UNII
3YKN12PCEQ
Created by admin on Fri Dec 15 19:36:10 GMT 2023 , Edited by admin on Fri Dec 15 19:36:10 GMT 2023
PRIMARY
CAS
1202-08-0
Created by admin on Fri Dec 15 19:36:10 GMT 2023 , Edited by admin on Fri Dec 15 19:36:10 GMT 2023
PRIMARY
ECHA (EC/EINECS)
214-862-2
Created by admin on Fri Dec 15 19:36:10 GMT 2023 , Edited by admin on Fri Dec 15 19:36:10 GMT 2023
PRIMARY
PUBCHEM
70993
Created by admin on Fri Dec 15 19:36:10 GMT 2023 , Edited by admin on Fri Dec 15 19:36:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID1074468
Created by admin on Fri Dec 15 19:36:10 GMT 2023 , Edited by admin on Fri Dec 15 19:36:10 GMT 2023
PRIMARY