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methyl 2-(hydroxymethyl)pyridine-4-carboxylate

methyl 2-(hydroxymethyl)pyridine-4-carboxylate

CAS: 58481-17-7

Formula: C8H9NO3

SMILES: COC(=O)C1=CC=NC(CO)=C1

IUPAC: methyl 2-(hydroxymethyl)pyridine-4-carboxylate

InChI: InChI=1S/C8H9NO3/c1-12-8(11)6-2-3-9-7(4-6)5-10/h2-4,10H,5H2,1H3

Composition: C (57.48%), H (5.43%), N (8.38%), O (28.71%)

Molar Mass: 167.164

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 167.058243154
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey PBBNEARCAGHGCQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.22
Topological Polar Surface Area 59.42
Polarizability 16.35
Ring Count 1
Rotatable Bond Count 3

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