1-{[1,1'-biphenyl]-4-yl}butan-1-one

1-{[1,1'-biphenyl]-4-yl}butan-1-one

CAS: 13211-01-3

Formula: C16H16O

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

IUPAC: 1-{[1,1'-biphenyl]-4-yl}butan-1-one

InChI: InChI=1S/C16H16O/c1-2-6-16(17)15-11-9-14(10-12-15)13-7-4-3-5-8-13/h3-5,7-12H,2,6H2,1H3

Composition: C (85.68%), H (7.19%), O (7.13%)

Molar Mass: 224.303

Atom Count: 33

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	224.120115135
Formal Charge	0
FSP3	0.19
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	WOFNMZNJGZJHJO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.82
Topological Polar Surface Area	17.07
Polarizability	28.84
Ring Count	2
Rotatable Bond Count	4

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Key Organics Ltd

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90%	<2 Days	13211-01-3		$51.35-$524.40$51.35$63.37$86.31$524.40

AA BLOCKS INC

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98%	<6 Days	13211-01-3		$5.75-$108.10$5.75$8.05$21.85$108.10