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1-phenylpentadecan-1-one

1-phenylpentadecan-1-one

CAS: 4669-04-9

Formula: C21H34O

SMILES: CCCCCCCCCCCCCCC(=O)C1=CC=CC=C1

IUPAC: 1-phenylpentadecan-1-one

InChI: InChI=1S/C21H34O/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-21(22)20-17-14-13-15-18-20/h13-15,17-18H,2-12,16,19H2,1H3

Composition: C (83.38%), H (11.33%), O (5.29%)

Molar Mass: 302.502

Atom Count: 56

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 302.260965715
Formal Charge 0
FSP3 0.67
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey SDNCECLJQYEDRK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 96.3
Topological Polar Surface Area 17.07
Polarizability 38.08
Ring Count 1
Rotatable Bond Count 14

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