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10128-72-0 | 4-Pyridinecarboxylic acid, 3-hydroxy-, methyl ester
CAS No: 10128-72-0 Catalog No: AG00044O MDL No:MFCD00661299
Product Description
Catalog Number:
AG00044O
Chemical Name:
4-Pyridinecarboxylic acid, 3-hydroxy-, methyl ester
CAS Number:
10128-72-0
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD00661299
IUPAC Name:
methyl 3-hydroxypyridine-4-carboxylate
InChI:
InChI=1S/C7H7NO3/c1-11-7(10)5-2-3-8-4-6(5)9/h2-4,9H,1H3
InChI Key:
OJRUFSZEJPZKQV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccncc1O
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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