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5-methoxypyridine-3-carboxylic acid

5-methoxypyridine-3-carboxylic acid

CAS: 20826-03-3

Formula: C7H7NO3

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

IUPAC: 5-methoxypyridine-3-carboxylic acid

InChI: InChI=1S/C7H7NO3/c1-11-6-2-5(7(9)10)3-8-4-6/h2-4H,1H3,(H,9,10)

Composition: C (54.90%), H (4.61%), N (9.15%), O (31.34%)

Molar Mass: 153.137

Atom Count: 18

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 153.042593089
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey VDZUWTLBWRZRTR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.62
Topological Polar Surface Area 59.42
Polarizability 14.35
Ring Count 1
Rotatable Bond Count 2

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