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3-Phenoxy-2-butanone

CAT: 0024-sc-310869ASize: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-310869ASize:5 mg
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CAS Number
6437-85-0

Chemical Information

3-Phenoxy-2-butanone
CAS Number6437-85-0
PubChem CID2764474
IUPAC Name3-phenoxybutan-2-one
Molecular FormulaC10H12O2
Molecular Weight164.20
XLogP2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity148
SMILES
CC(C(=O)C)OC1=CC=CC=C1
InChI
InChI=1S/C10H12O2/c1-8(11)9(2)12-10-6-4-3-5-7-10/h3-7,9H,1-2H3
InChIKey
GYXROYABIGAUKY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Phenoxy-2-butanone
CAS: 6437-85-0
CID: 2764474
Formula: C10H12O2
MW: 164.20
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.20
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass164.083729621
Monoisotopic Mass164.083729621
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity148
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
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Alternative Products

CatalogName
IC20198-013-[4- (4-Chlorobenzoyl) phenoxy]-2-butanone
TRC-C364540-100MG3-[4-(4-Chlorobenzoyl)phenoxy]-2-butanone (Fenofibrate Impurity)
268351-013-[4- (4-Chlorobenzoyl) phenoxy]-2-butanone (fenofibrate impurity)
TRC-C364540-50MG3-[4-(4-Chlorobenzoyl)phenoxy]-2-butanone(Fenofibrate Impurity)
AAA81475-013-Bromo-2-butanone
TRC-M294155-250ML3-Methyl-2-butanone
GTR19252851-013-Mercapto-2-butanone
424824-013-Chloro-2-butanone
279750-013-Hydroxy-2-butanone
OR1025206-013-Methylthio-2-Butanone

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