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84596-19-0 | 3-Pyridinecarboxylic acid, 2-amino-4-methyl-5-phenyl-
CAS No: 84596-19-0 Catalog No: AG004QCB MDL No:
Product Description
Catalog Number:
AG004QCB
Chemical Name:
3-Pyridinecarboxylic acid, 2-amino-4-methyl-5-phenyl-
CAS Number:
84596-19-0
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
IUPAC Name:
2-amino-4-methyl-5-phenylpyridine-3-carboxylic acid
InChI:
InChI=1S/C13H12N2O2/c1-8-10(9-5-3-2-4-6-9)7-15-12(14)11(8)13(16)17/h2-7H,1H3,(H2,14,15)(H,16,17)
InChI Key:
SEMGRBPTXHTYQS-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(N)ncc(c1C)c1ccccc1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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