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3-hydroxy-3-methyl-4-phenylbutan-2-one

3-hydroxy-3-methyl-4-phenylbutan-2-one

Formula: C11H14O2

SMILES: CC(=O)C(C)(O)CC1=CC=CC=C1

IUPAC: 3-hydroxy-3-methyl-4-phenylbutan-2-one

InChI: InChI=1/C11H14O2/c1-9(12)11(2,13)8-10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3

Composition: C (74.13%), H (7.92%), O (17.95%)

Molar Mass: 178.231

Atom Count: 27

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 178.099379691
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DNRMAAJDFACPOV-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.72
Topological Polar Surface Area 37.3
Polarizability 20.23
Ring Count 1
Rotatable Bond Count 3

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98% <10 Days C11H14O2 Quote Only
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