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1-(3-methoxyphenyl)cyclobutane-1-carboxylic acid

1-(3-methoxyphenyl)cyclobutane-1-carboxylic acid

CAS: 74205-43-9

Formula: C12H14O3

SMILES: COC1=CC(=CC=C1)C1(CCC1)C(O)=O

IUPAC: 1-(3-methoxyphenyl)cyclobutane-1-carboxylic acid

InChI: InChI=1S/C12H14O3/c1-15-10-5-2-4-9(8-10)12(11(13)14)6-3-7-12/h2,4-5,8H,3,6-7H2,1H3,(H,13,14)

Composition: C (69.89%), H (6.84%), O (23.27%)

Molar Mass: 206.241

Atom Count: 29

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 206.094294311
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DKRPTRYWEUCDHJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.7
Topological Polar Surface Area 46.53
Polarizability 21.84
Ring Count 2
Rotatable Bond Count 3

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