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1172443-67-2 | 3,5-Pyridinedicarboxylic acid, 2-amino-, hydrochloride (1:1)
CAS No: 1172443-67-2 Catalog No: AG000DZF MDL No:MFCD09910169
Product Description
Catalog Number:
AG000DZF
Chemical Name:
3,5-Pyridinedicarboxylic acid, 2-amino-, hydrochloride (1:1)
CAS Number:
1172443-67-2
Molecular Formula:
C7H7ClN2O4
Molecular Weight:
218.5945
MDL Number:
MFCD09910169
IUPAC Name:
2-aminopyridine-3,5-dicarboxylic acid;hydrochloride
InChI:
InChI=1S/C7H6N2O4.ClH/c8-5-4(7(12)13)1-3(2-9-5)6(10)11;/h1-2H,(H2,8,9)(H,10,11)(H,12,13);1H
InChI Key:
HGUIJMMEFBPKTQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(c(c1)C(=O)O)N.Cl
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.009g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
218.593g/mol
Monoisotopic Mass:
218.009g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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