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2-Hydroxy-2-methylpropiophenone

CAT: 0127-OR70171-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0127-OR70171-01Size:100 g
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CAS Number
7473-98-5
MDL Number
MFCD00040710
Purity
98%
Smiles
CC(C)(O)C(=O)c1ccccc1

Chemical Information

2-Hydroxy-2-methyl-1-phenylpropan-1-one

structure in first source

CAS Number7473-98-5
PubChem CID81984
IUPAC Name2-hydroxy-2-methyl-1-phenylpropan-1-one
Molecular FormulaC10H12O2
Molecular Weight164.20
XLogP1.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity167
SMILES
CC(C)(C(=O)C1=CC=CC=C1)O
InChI
InChI=1S/C10H12O2/c1-10(2,12)9(11)8-6-4-3-5-7-8/h3-7,12H,1-2H3
InChIKey
XMLYCEVDHLAQEL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-2-methyl-1-phenylpropan-1-one
CAS: 7473-98-5
CID: 81984
Formula: C10H12O2
MW: 164.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.20
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass164.083729621
Monoisotopic Mass164.083729621
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity167
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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