1-(3-methylphenyl)butan-2-one

1-(3-methylphenyl)butan-2-one

CAS: 163278-06-6

Formula: C11H14O

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

IUPAC: 1-(3-methylphenyl)butan-2-one

InChI: InChI=1S/C11H14O/c1-3-11(12)8-10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3

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	0
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	AWLJMLRYJDFTCV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.58
Topological Polar Surface Area	17.07
Polarizability	19.55
Ring Count	1
Rotatable Bond Count	3

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Acrotein ChemBio Inc.,

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	163278-06-6		$167.04-$369.60$167.04$246.72$369.60