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2-(4-methoxyphenyl)butanoic acid

2-(4-methoxyphenyl)butanoic acid

CAS: 29644-99-3

Formula: C11H14O3

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

IUPAC: 2-(4-methoxyphenyl)butanoic acid

InChI: InChI=1/C11H14O3/c1-3-10(11(12)13)8-4-6-9(14-2)7-5-8/h4-7,10H,3H2,1-2H3,(H,12,13)

Composition: C (68.02%), H (7.27%), O (24.71%)

Molar Mass: 194.23

Atom Count: 28

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 194.094294311
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey SHXBXUJGKPPUOS-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 53
Topological Polar Surface Area 46.53
Polarizability 20.72
Ring Count 1
Rotatable Bond Count 4

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