Products for Research Use Only
RegisterLogin

3-Phenylbutan-2-one

CAT: 0926-AAA76959-01Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-AAA76959-01Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
769-59-5
MDL Number
MFCD00156648
Smiles
CC (C1=CC=CC=C1) C (=O) C
Molecular Formula
C10H12O
Molecular Weight
148.2 g/mol
Controlled
No

Chemical Information

3-Phenylbutan-2-one
CAS Number769-59-5
PubChem CID97744
IUPAC Name3-phenylbutan-2-one
Molecular FormulaC10H12O
Molecular Weight148.20
XLogP2.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity134
SMILES
CC(C1=CC=CC=C1)C(=O)C
InChI
InChI=1S/C10H12O/c1-8(9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey
CVWMNAWLNRRPOL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Phenylbutan-2-one
CAS: 769-59-5
CID: 97744
Formula: C10H12O
MW: 148.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.20
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass148.088815002
Monoisotopic Mass148.088815002
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity134
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
FCA98568-013-Bromo-4-phenylbutan-2-one
MCA76333-013-Hydroxy-1-phenylbutan-2-one
GAA72167-013,3-Dimethyl-1-phenylbutan-2-one
WAA90617-013-Phenylbutan-2-amine
RHA10446-013-Amino-1-phenylbutan-2-one hydrochloride
FAA44027-013-Amino-4-phenylbutan-2-one hydrochloride
PYB10664-013-[ (4-Phenylbutan-2-yl) amino]azepan-2-one
CAA37191-012,3-Dimethyl-3-phenylbutan-2-ol
ZBA83403-013-Methyl-3-phenylbutan-2-amine
AAA87735-012-Bromo-1-phenylbutan-1-one

Alternative Products

CatalogName
sc-346616A3-chloro-1-phenylbutan-2-one
OR1057542-013-Methyl-4-phenylbutan-2-one
TN9479-011-Phenylbutan-2-one
RG-A260167-014-Phenylbutan-2-One
TRC-P321973-50MG3-phenylbutan-2-amine
sc-2759953-amino-4-phenylbutan-2-one hydrochloride
OR1072543-013-Hydroxy-3-methyl-4-phenylbutan-2-one
sc-3414932-bromo-3-methyl-1-phenylbutan-1-one
FH MW 0059-012-benzyl-3,3-dimethyl-1-phenylbutan-1-one
sc-341489A2-bromo-1-phenylbutan-1-one

Popular Products