CAS 20795-51-1 | 3-Pentanone, 1-phenyl- | CAS Number 20795-51-1

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20795-51-1 | 3-Pentanone, 1-phenyl-

CAS No: 20795-51-1 Catalog No: AG002JDP MDL No:MFCD00027025

Product Description

Catalog Number:

AG002JDP

Chemical Name:

3-Pentanone, 1-phenyl-

CAS Number:

20795-51-1

Molecular Formula:

C11H14O

Molecular Weight:

162.2283

MDL Number:

MFCD00027025

IUPAC Name:

1-phenylpentan-3-one

InChI:

InChI=1S/C11H14O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3

InChI Key:

GLVAUXMKXKUEEA-UHFFFAOYSA-N

SMILES:

CCC(=O)CCc1ccccc1

EC Number:

244-045-6

Properties

Complexity:

134

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

162.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

162.232g/mol

Monoisotopic Mass:

162.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Chemoselective synthesis of ketones and ketimines by addition of organometallic reagents to secondary amides.	Nature chemistry 20120221
Mapuche herbal medicine inhibits blood platelet aggregation.	Evidence-based complementary and alternative medicine : eCAM 20120101
Conductor compounds of phenylpentane in Mycoleptodonoides aitchisonii mycelium enhance the release of dopamine from rat brain striatum slices.	Nutritional neuroscience 20040401