CAS 1009-11-6 | 1-Butanone, 1-(4-hydroxyphenyl)- | CAS Number 1009-11-6

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1009-11-6 | 1-Butanone, 1-(4-hydroxyphenyl)-

CAS No: 1009-11-6 Catalog No: AG00034Z MDL No:MFCD00020173

Product Description

Catalog Number:

AG00034Z

Chemical Name:

1-Butanone, 1-(4-hydroxyphenyl)-

CAS Number:

1009-11-6

Molecular Formula:

C10H12O2

Molecular Weight:

164.2011

MDL Number:

MFCD00020173

IUPAC Name:

1-(4-hydroxyphenyl)butan-1-one

InChI:

InChI=1S/C10H12O2/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,11H,2-3H2,1H3

InChI Key:

GFBLPULLSAPXDC-UHFFFAOYSA-N

SMILES:

CCCC(=O)c1ccc(cc1)O

EC Number:

213-766-8

NSC Number:

17548

Properties

Complexity:

146

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

164.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

164.204g/mol

Monoisotopic Mass:

164.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Anaerobic biodegradation of 4-alkylphenols in a paddy soil microcosm supplemented with nitrate.	Chemosphere 20070801
Synthesis, biochemical evaluation and rationalisation of the inhibitory activity of a series of 4-hydroxyphenyl ketones as potential inhibitors of 17beta-hydroxysteroid dehydrogenase type 3 (17beta-HSD3).	Bioorganic & medicinal chemistry letters 20060901