3-(2-methoxyphenyl)propanoic acid

3-(2-methoxyphenyl)propanoic acid

CAS: 6342-77-4

Formula: C10H12O3

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

IUPAC: 3-(2-methoxyphenyl)propanoic acid

InChI: InChI=1S/C10H12O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)

Composition: C (66.65%), H (6.71%), O (26.63%)

Molar Mass: 180.203

Atom Count: 25

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	180.078644246
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XSZSNLOPIWWFHS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.43
Topological Polar Surface Area	46.53
Polarizability	18.89
Ring Count	1
Rotatable Bond Count	4

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