3-methyl-4-phenylbutan-2-one

3-methyl-4-phenylbutan-2-one

CAS: 2550-27-8

Formula: C11H14O

SMILES: CC(CC1=CC=CC=C1)C(C)=O

IUPAC: 3-methyl-4-phenylbutan-2-one

InChI: InChI=1/C11H14O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3

Composition: C (81.44%), H (8.70%), O (9.86%)

Molar Mass: 162.232

Atom Count: 26

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	162.104465071
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	YEHRTTZJTORGJL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.09
Topological Polar Surface Area	17.07
Polarizability	19.63
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	2550-27-8		$290.03-$677.16$290.03$677.16