3-(5-methoxypyridin-3-yl)propanoic acid

3-(5-methoxypyridin-3-yl)propanoic acid

CAS: 1256825-62-3

Formula: C9H11NO3

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

IUPAC: 3-(5-methoxypyridin-3-yl)propanoic acid

InChI: InChI=1S/C9H11NO3/c1-13-8-4-7(5-10-6-8)2-3-9(11)12/h4-6H,2-3H2,1H3,(H,11,12)

Composition: C (59.66%), H (6.12%), N (7.73%), O (26.49%)

Molar Mass: 181.191

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	181.073893218
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	HPNFHDVAEVPXQT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.27
Topological Polar Surface Area	59.42
Polarizability	18.02
Ring Count	1
Rotatable Bond Count	4

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