3-(2-methylpyridin-4-yl)propanoic acid

3-(2-methylpyridin-4-yl)propanoic acid

CAS: 26413-65-0

Formula: C9H11NO2

SMILES: CC1=CC(CCC(O)=O)=CC=N1

IUPAC: 3-(2-methylpyridin-4-yl)propanoic acid

InChI: InChI=1S/C9H11NO2/c1-7-6-8(4-5-10-7)2-3-9(11)12/h4-6H,2-3H2,1H3,(H,11,12)

Composition: C (65.44%), H (6.71%), N (8.48%), O (19.37%)

Molar Mass: 165.192

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	165.078978598
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NWCOFMZVFDRCBB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.4
Topological Polar Surface Area	50.19
Polarizability	17.24
Ring Count	1
Rotatable Bond Count	3

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