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1256633-27-8 | 2-Pyridinecarboxylic acid, 4-hydroxy-, methyl ester, hydrochloride (1:1)
CAS No: 1256633-27-8 Catalog No: AG000OBB MDL No:MFCD18071002
Product Description
Catalog Number:
AG000OBB
Chemical Name:
2-Pyridinecarboxylic acid, 4-hydroxy-, methyl ester, hydrochloride (1:1)
CAS Number:
1256633-27-8
Molecular Formula:
C7H8ClNO3
Molecular Weight:
189.5963
MDL Number:
MFCD18071002
IUPAC Name:
methyl 4-oxo-1H-pyridine-2-carboxylate;hydrochloride
InChI:
InChI=1S/C7H7NO3.ClH/c1-11-7(10)6-4-5(9)2-3-8-6;/h2-4H,1H3,(H,8,9);1H
InChI Key:
KYNAQQLKTARAOE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(O)ccn1.Cl
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.019g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.595g/mol
Monoisotopic Mass:
189.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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