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13287-66-6 | 4-Pyridinecarboxylic acid, 2-methyl-, hydrochloride (1:1)
CAS No: 13287-66-6 Catalog No: AG0011BJ MDL No:MFCD04114150
Product Description
Catalog Number:
AG0011BJ
Chemical Name:
4-Pyridinecarboxylic acid, 2-methyl-, hydrochloride (1:1)
CAS Number:
13287-66-6
Molecular Formula:
C7H8ClNO2
Molecular Weight:
173.5969
MDL Number:
MFCD04114150
IUPAC Name:
2-methylpyridine-4-carboxylic acid;hydrochloride
InChI:
InChI=1S/C7H7NO2.ClH/c1-5-4-6(7(9)10)2-3-8-5;/h2-4H,1H3,(H,9,10);1H
InChI Key:
ZHVQFRXXTMUAFB-UHFFFAOYSA-N
SMILES:
Cc1nccc(c1)C(=O)O.Cl
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.024g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.596g/mol
Monoisotopic Mass:
173.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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