2-Pyridinecarboxylic acid, 1,4-dihydro-4-oxo-5-(phenylmethoxy)-


Chemical Name: 2-Pyridinecarboxylic acid, 1,4-dihydro-4-oxo-5-(phenylmethoxy)-
CAS Number: 107550-30-1
Product Number: AG00930P(AGN-PC-0NF46C)
Synonyms:
MDL No:
Molecular Formula: C13H11NO4
Molecular Weight: 245.2307

Identification/Properties


Computed Properties
Molecular Weight:
245.234g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
245.069g/mol
Monoisotopic Mass:
245.069g/mol
Topological Polar Surface Area:
75.6A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
405
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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