3',4'-Dimethylacetophenone - CAS 3637-01-2

Catalog:	BB022946
Product Name:	3',4'-Dimethylacetophenone
CAS:	3637-01-2
Synonyms:	1-(3,4-dimethylphenyl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(3,4-dimethylphenyl)ethanone
Description:	3',4'-Dimethylacetophenone (CAS# 3637-01-2) is a useful research chemical, an acetophenone with selective antimycobacterial activity.
Molecular Weight:	148.20
Molecular Formula:	C10H12O
Canonical SMILES:	CC1=C(C=C(C=C1)C(=O)C)C
InChI:	InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6H,1-3H3
InChI Key:	WPRAXAOJIODQJR-UHFFFAOYSA-N
Boiling Point:	243 °C
Density:	1.001 g/cm³
Appearance:	Colorless to light yellow clear liquid
MDL:	MFCD00008743
LogP:	2.50600

Publication Number	Title	Priority Date
CN-113057164-A	Grapholitha molesta attractant and attracting core	20210315
CN-111205152-A	Preparation method of m-terphenyl compound	20200312
WO-2021110472-A1	Process for preparing amines over a copper catalyst	20191203
WO-2021085321-A1	Resin composition, resin sheet, cured film, method for manufacturing cured film, semiconductor device, organic el display device, and display device	20191029
CN-110590535-A	Method for preparing aromatic glyoxylic acid by oxidizing acetophenone with selenium dioxide	20191012

PMID	Publication Date	Title	Journal
19443225	20090701	Discovery of tetrahydrotetramethylnaphthalene analogs as adult T-cell leukemia cell-selective proliferation inhibitors in a small chemical library constructed based on multi-template hypothesis	Bioorganic & medicinal chemistry
11824965	20020101	Effects of gold on cytokine production in vitro; increase of monocyte dependent interleukin 10 production and decrease of interferon-gamma levels	The Journal of rheumatology

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[1006443-01-1]
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[832741-29-4]
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Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.088815002
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	148.088815002
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9