CAS 1007-32-5 | 2-Butanone, 1-phenyl- | CAS Number 1007-32-5

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1007-32-5 | 2-Butanone, 1-phenyl-

CAS No: 1007-32-5 Catalog No: AG0002NI MDL No:MFCD00009315

Product Description

Catalog Number:

AG0002NI

Chemical Name:

2-Butanone, 1-phenyl-

CAS Number:

1007-32-5

Molecular Formula:

C10H12O

Molecular Weight:

148.2017

MDL Number:

MFCD00009315

IUPAC Name:

1-phenylbutan-2-one

InChI:

InChI=1S/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

InChI Key:

GKDLTXYXODKDEA-UHFFFAOYSA-N

SMILES:

CCC(=O)Cc1ccccc1

EC Number:

213-752-1

UNII:

1AKG6904VP

NSC Number:

133447

Properties

Complexity:

123

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

148.089g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

148.205g/mol

Monoisotopic Mass:

148.089g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
The role of aromatic interactions in the structure and energetics of benzyl ketones.	Physical chemistry chemical physics : PCCP 20101007
Defensive secretions in three species of polydesmids (Diplopoda, Polydesmida, Polydesmidae).	Journal of chemical ecology 20100901
(E)-1-Phenyl-butan-2-one (2,4-dinitro-phen-yl)hydrazone.	Acta crystallographica. Section E, Structure reports online 20091101