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1263377-16-7 | 2-(2-Carboxyphenyl)-isonicotinic acid
CAS No: 1263377-16-7 Catalog No: AG01FD02 MDL No:
Product Description
Catalog Number:
AG01FD02
Chemical Name:
2-(2-Carboxyphenyl)-isonicotinic acid
CAS Number:
1263377-16-7
Molecular Formula:
C13H9NO4
Molecular Weight:
243.2149
IUPAC Name:
2-(2-carboxyphenyl)pyridine-4-carboxylic acid
InChI:
InChI=1S/C13H9NO4/c15-12(16)8-5-6-14-11(7-8)9-3-1-2-4-10(9)13(17)18/h1-7H,(H,15,16)(H,17,18)
InChI Key:
XJDLZHYNGYTQHI-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(c1)c1ccccc1C(=O)O
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.218g/mol
Monoisotopic Mass:
243.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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