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5-phenyloxan-2-one

5-phenyloxan-2-one

CAS: 62618-74-0

Formula: C11H12O2

SMILES: O=C1CCC(CO1)C1=CC=CC=C1

IUPAC: 5-phenyloxan-2-one

InChI: InChI=1/C11H12O2/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2

Composition: C (74.98%), H (6.86%), O (18.16%)

Molar Mass: 176.215

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 176.083729626
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey BRYIUUALAMTDIM-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.48
Topological Polar Surface Area 26.3
Polarizability 19.57
Ring Count 2
Rotatable Bond Count 1

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