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100383-06-0 | 3-Pyridinecarboxylic acid, 4-amino-5-methyl-
CAS No: 100383-06-0 Catalog No: AG0001TZ MDL No:
Product Description
Catalog Number:
AG0001TZ
Chemical Name:
3-Pyridinecarboxylic acid, 4-amino-5-methyl-
CAS Number:
100383-06-0
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
IUPAC Name:
4-amino-5-methylpyridine-3-carboxylic acid
InChI:
InChI=1S/C7H8N2O2/c1-4-2-9-3-5(6(4)8)7(10)11/h2-3H,1H3,(H2,8,9)(H,10,11)
InChI Key:
AGIWCPJMXBUCMW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncc(c1N)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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