3-Pyridinecarboxylic acid, 6-(3-methoxyphenyl)-, methyl ester


Chemical Name: 3-Pyridinecarboxylic acid, 6-(3-methoxyphenyl)-, methyl ester
CAS Number: 869985-47-7
Product Number: AG003RY7(AGN-PC-00S6Y1)
Synonyms:
MDL No: MFCD08166613
Molecular Formula: C14H13NO3
Molecular Weight: 243.2579

Identification/Properties


Computed Properties
Molecular Weight:
243.262g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
243.09g/mol
Monoisotopic Mass:
243.09g/mol
Topological Polar Surface Area:
48.4A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
282
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
Precautionary Statements:
P264-P270-P301+P312-P330
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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