3-(3,5-dimethoxyphenyl)propanoic acid

3-(3,5-dimethoxyphenyl)propanoic acid

CAS: 717-94-2

Formula: C11H14O4

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

IUPAC: 3-(3,5-dimethoxyphenyl)propanoic acid

InChI: InChI=1S/C11H14O4/c1-14-9-5-8(3-4-11(12)13)6-10(7-9)15-2/h5-7H,3-4H2,1-2H3,(H,12,13)

Composition: C (62.85%), H (6.71%), O (30.44%)

Molar Mass: 210.229

Atom Count: 29

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	210.089208931
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	LMBOJOXVLORKSQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.89
Topological Polar Surface Area	55.76
Polarizability	21.43
Ring Count	1
Rotatable Bond Count	5

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