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1261972-92-2 | 2-Pyridinecarboxylic acid, 3-(4-formylphenyl)-
CAS No: 1261972-92-2 Catalog No: AG000SA1 MDL No:MFCD18316849
Product Description
Catalog Number:
AG000SA1
Chemical Name:
2-Pyridinecarboxylic acid, 3-(4-formylphenyl)-
CAS Number:
1261972-92-2
Molecular Formula:
C13H9NO3
Molecular Weight:
227.2155
MDL Number:
MFCD18316849
IUPAC Name:
3-(4-formylphenyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C13H9NO3/c15-8-9-3-5-10(6-4-9)11-2-1-7-14-12(11)13(16)17/h1-8H,(H,16,17)
InChI Key:
JLBFPCXWHINREB-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1cccnc1C(=O)O
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.219g/mol
Monoisotopic Mass:
227.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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