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

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

CAS: 335331-55-0

Formula: C11H12O2

SMILES: COC1=C(C=CC=C1)C1CC(=O)C1

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

InChI: InChI=1S/C11H12O2/c1-13-11-5-3-2-4-10(11)8-6-9(12)7-8/h2-5,8H,6-7H2,1H3

Composition: C (74.98%), H (6.86%), O (18.16%)

Molar Mass: 176.215

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 176.083729626
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey COAFDRNYVNBEMF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.15
Topological Polar Surface Area 26.3
Polarizability 19.55
Ring Count 2
Rotatable Bond Count 2

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