1-phenyltridecan-1-one

1-phenyltridecan-1-one

CAS: 6005-99-8

Formula: C19H30O

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

IUPAC: 1-phenyltridecan-1-one

InChI: InChI=1S/C19H30O/c1-2-3-4-5-6-7-8-9-10-14-17-19(20)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3

Composition: C (83.15%), H (11.02%), O (5.83%)

Molar Mass: 274.448

Atom Count: 50

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	274.229665586
Formal Charge	0
FSP3	0.63
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	ZZNDQCACFUJAKJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	87.1
Topological Polar Surface Area	17.07
Polarizability	34.39
Ring Count	1
Rotatable Bond Count	12

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