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1261976-89-9 | 3-Pyridinecarboxylic acid, 5-(3-carboxyphenyl)-
CAS No: 1261976-89-9 Catalog No: AG000S9R MDL No:MFCD18317323
Product Description
Catalog Number:
AG000S9R
Chemical Name:
3-Pyridinecarboxylic acid, 5-(3-carboxyphenyl)-
CAS Number:
1261976-89-9
Molecular Formula:
C13H9NO4
Molecular Weight:
243.2149
MDL Number:
MFCD18317323
IUPAC Name:
5-(3-carboxyphenyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H9NO4/c15-12(16)9-3-1-2-8(4-9)10-5-11(13(17)18)7-14-6-10/h1-7H,(H,15,16)(H,17,18)
InChI Key:
NQVZYGPMEZNLCN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1cncc(c1)C(=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:
1.5
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