4-Phenylbutan-2-One

CAT: 1299-RG-A260167-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A260167-01Size:10 mg

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CAS Number

2550-26-7

Synonyms

4-phenylbutan-2-one

Molecular Formula

C10H12O

Molecular Weight

148.21

Product Name Synonym

4-phenylbutan-2-one

Chemical Information

Benzyl acetone

4-phenylbutan-2-one is a ketone.

CAS Number	2550-26-7
PubChem CID	17355
IUPAC Name	4-phenylbutan-2-one
Molecular Formula	C10H12O
Molecular Weight	148.20
XLogP	1.8
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	123

SMILES

CC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

InChIKey

AKGGYBADQZYZPD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2550-26-7

CID: 17355

Formula: C10H12O

MW: 148.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.20
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	148.088815002
Monoisotopic Mass	148.088815002
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	123
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
RG-B051446-01	N-Benzyl-4-Phenylbutan-2-Amine
RG-P080528-01	2-Phenylbutan-2-Ol
RG-M200834-01	2- (Methylamino) -2-Phenylbutan-1-Ol
RG-A131600-01	2-Amino-2-Phenylbutan-1-Ol
RG-M052057-01	(S) -3-Methyl-2-Phenylbutan-1-Amine
RG-D132000-01	2-Dimethylamino-2-Phenylbutan-1-Ol; Trimebutine EP Impurity A
RM-H041800-01	4-Hydroxyindolin-2-One
RG-E140213-01	4-phenylpyrrolidin-2-one
RG-E140332-01	4-hydroxybutan-2-one
RG-C121510-01	4-Chloro-4-Methylpentan-2-One

Catalog	Name
FCA98568-01	3-Bromo-4-phenylbutan-2-one
VAA84580-01	1-Chloro-4-phenylbutan-2-one
OR1057542-01	3-Methyl-4-phenylbutan-2-one
abx186710-01	1-Bromo-4-phenylbutan-2-one
TN9479-01	1-Phenylbutan-2-one
AAA76959-01	3-Phenylbutan-2-one
DEA96048-01	4- (Dimethylamino) -1-phenylbutan-2-one hydrochloride
OR1063401-01	1- (4-Hydroxyphenyl) -2-phenylbutan-1-one
OR5082-01	4-Phenylbutan-2-amine
GBA41953-01	1-Amino-4-phenylbutan-2-one hydrochloride