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6-methoxy-5-methylpyridine-3-carboxylic acid

6-methoxy-5-methylpyridine-3-carboxylic acid

CAS: 1211531-94-0

Formula: C8H9NO3

SMILES: COC1=C(C)C=C(C=N1)C(O)=O

IUPAC: 6-methoxy-5-methylpyridine-3-carboxylic acid

InChI: InChI=1S/C8H9NO3/c1-5-3-6(8(10)11)4-9-7(5)12-2/h3-4H,1-2H3,(H,10,11)

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 4
Hydrogen Bond Donor Count 1
InChIKey XJXUPIMYYIFYBX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.98
Topological Polar Surface Area 59.42
Polarizability 16.1
Ring Count 1
Rotatable Bond Count 2

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