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

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

CAS: 23037-58-3

Formula: C11H14O2

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

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

InChI: InChI=1S/C11H14O2/c1-3-10(12)7-9-5-4-6-11(8-9)13-2/h4-6,8H,3,7H2,1-2H3

Composition: C (74.13%), H (7.92%), O (17.95%)

Molar Mass: 178.231

Atom Count: 27

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	178.099379691
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZVXUYSSOGUAUNH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.01
Topological Polar Surface Area	26.3
Polarizability	20.28
Ring Count	1
Rotatable Bond Count	4

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