1-Phenylpentan-2-one

CAT: 0127-OR962924-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR962924-01Size:250 mg

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CAS Number

6683-92-7

MDL Number

MFCD00027142

Purity

95%

Smiles

CCCC(=O)Cc1ccccc1

Chemical Information

1-Phenyl-2-pentanone

CAS Number	6683-92-7
PubChem CID	81188
IUPAC Name	1-phenylpentan-2-one
Molecular Formula	C11H14O
Molecular Weight	162.23
XLogP	2.3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	134

SMILES

CCCC(=O)CC1=CC=CC=C1

InChI

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

InChIKey

NFKAWBGFIMBUMB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6683-92-7

CID: 81188

Formula: C11H14O

MW: 162.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.23
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	162.104465066
Monoisotopic Mass	162.104465066
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	134
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
VAA79551-01	1-Phenylpentan-3-one
HY-145613-01	5-Phenylpentan-2-one
ICA00985-01	1-Chloro-5-phenylpentan-2-one
JH184065	2- (ethylamino) -1-phenylpentan-1-one, hydrochloride
YAA93695-01	2-Methyl-1-phenylpentan-3-one
NCA95101-01	1-Phenylpentan-2-amine
EHC40213-01	1- (Methylamino) -1-phenylpentan-2-one hydrochloride
HY-W010137R	1-Phenylpentan-1-one (Standard)
EXB91966-01	1- (4-Chlorophenyl) -5-phenylpentan-2-one
FH MW 0044-01	1- (4-bromophenyl) -5-phenylpentan-2-one