3-Methylacetophenone

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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

Structure Search

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

Title	Date	PubMed
Photochemical deuterium exchange of the m-methyl group of 3-methylbenzophenone and 3-methylacetophenone in acidic D2O.	2004-05-27	15151417
A practical catalytic asymmetric addition of alkyl groups to ketones.	2002-09-18	12224931

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:02:13 GMT 2025` Edited by `admin` on `Mon Mar 31 19:02:13 GMT 2025`
Record UNII	V3KL17Y68N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-46632

Preferred Name

English

3-Methylacetophenone

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID5074717

Created by admin on Mon Mar 31 19:02:13 GMT 2025 , Edited by admin on Mon Mar 31 19:02:13 GMT 2025

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PUBCHEM

11455

Created by admin on Mon Mar 31 19:02:13 GMT 2025 , Edited by admin on Mon Mar 31 19:02:13 GMT 2025

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CAS

585-74-0

Created by admin on Mon Mar 31 19:02:13 GMT 2025 , Edited by admin on Mon Mar 31 19:02:13 GMT 2025

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NSC

46632

Created by admin on Mon Mar 31 19:02:13 GMT 2025 , Edited by admin on Mon Mar 31 19:02:13 GMT 2025

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ECHA (EC/EINECS)

209-561-8

Created by admin on Mon Mar 31 19:02:13 GMT 2025 , Edited by admin on Mon Mar 31 19:02:13 GMT 2025

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FDA UNII

V3KL17Y68N

Created by admin on Mon Mar 31 19:02:13 GMT 2025 , Edited by admin on Mon Mar 31 19:02:13 GMT 2025

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