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4-(hydroxymethyl)-4-phenylcyclohexan-1-one

4-(hydroxymethyl)-4-phenylcyclohexan-1-one

CAS: 51510-01-1

Formula: C13H16O2

SMILES: OCC1(CCC(=O)CC1)C1=CC=CC=C1

IUPAC: 4-(hydroxymethyl)-4-phenylcyclohexan-1-one

InChI: InChI=1S/C13H16O2/c14-10-13(8-6-12(15)7-9-13)11-4-2-1-3-5-11/h1-5,14H,6-10H2

Composition: C (76.44%), H (7.90%), O (15.66%)

Molar Mass: 204.269

Atom Count: 31

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 204.115029755
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey LNDAAGLXLPQHRH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.14
Topological Polar Surface Area 37.3
Polarizability 23.18
Ring Count 2
Rotatable Bond Count 2

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97% <2 Days 51510-01-1 $51.35-$359.43$51.35$63.37$86.31$225.06$359.43
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