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5693-36-7 | 4-(pyridine-2-amido)benzoic acid
CAS No: 5693-36-7 Catalog No: AG019UEM MDL No:MFCD01465213
Product Description
Catalog Number:
AG019UEM
Chemical Name:
4-(pyridine-2-amido)benzoic acid
CAS Number:
5693-36-7
Molecular Formula:
C13H10N2O3
Molecular Weight:
242.2301
MDL Number:
MFCD01465213
IUPAC Name:
4-(pyridine-2-carbonylamino)benzoic acid
InChI:
InChI=1S/C13H10N2O3/c16-12(11-3-1-2-8-14-11)15-10-6-4-9(5-7-10)13(17)18/h1-8H,(H,15,16)(H,17,18)
InChI Key:
DJJBTHUGYMDMCO-UHFFFAOYSA-N
SMILES:
O=C(c1ccccn1)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
311
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:
1.5
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