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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H10O
Molecular Weight 134.1751
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYLACETOPHENONE

SMILES

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

InChI

InChIKey=FSPSELPMWGWDRY-UHFFFAOYSA-N
InChI=1S/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3-6H,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H10O
Molecular Weight 134.1751
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
A practical catalytic asymmetric addition of alkyl groups to ketones.
2002 Sep 18
Photochemical deuterium exchange of the m-methyl group of 3-methylbenzophenone and 3-methylacetophenone in acidic D2O.
2004 May 27
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:05:20 GMT 2023
Edited
by admin
on Fri Dec 15 18:05:20 GMT 2023
Record UNII
V3KL17Y68N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYLACETOPHENONE
Common Name English
NSC-46632
Code English
Code System Code Type Description
EPA CompTox
DTXSID5074717
Created by admin on Fri Dec 15 18:05:20 GMT 2023 , Edited by admin on Fri Dec 15 18:05:20 GMT 2023
PRIMARY
PUBCHEM
11455
Created by admin on Fri Dec 15 18:05:20 GMT 2023 , Edited by admin on Fri Dec 15 18:05:20 GMT 2023
PRIMARY
CAS
585-74-0
Created by admin on Fri Dec 15 18:05:20 GMT 2023 , Edited by admin on Fri Dec 15 18:05:20 GMT 2023
PRIMARY
NSC
46632
Created by admin on Fri Dec 15 18:05:20 GMT 2023 , Edited by admin on Fri Dec 15 18:05:20 GMT 2023
PRIMARY
ECHA (EC/EINECS)
209-561-8
Created by admin on Fri Dec 15 18:05:20 GMT 2023 , Edited by admin on Fri Dec 15 18:05:20 GMT 2023
PRIMARY
FDA UNII
V3KL17Y68N
Created by admin on Fri Dec 15 18:05:20 GMT 2023 , Edited by admin on Fri Dec 15 18:05:20 GMT 2023
PRIMARY