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86405-43-8 | 3-(pyridine-4-amido)benzoic acid
CAS No: 86405-43-8 Catalog No: AG00INP9 MDL No:MFCD03013021
Product Description
Catalog Number:
AG00INP9
Chemical Name:
3-(pyridine-4-amido)benzoic acid
CAS Number:
86405-43-8
Molecular Formula:
C13H10N2O3
Molecular Weight:
242.2301
MDL Number:
MFCD03013021
IUPAC Name:
3-(pyridine-4-carbonylamino)benzoic acid
InChI:
InChI=1S/C13H10N2O3/c16-12(9-4-6-14-7-5-9)15-11-3-1-2-10(8-11)13(17)18/h1-8H,(H,15,16)(H,17,18)
InChI Key:
MCLRAQYEHWJHFQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1)Nc1cccc(c1)C(=O)O
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.234g/mol
Monoisotopic Mass:
242.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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