1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-, phenylmethyl ester


Chemical Name: 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-, phenylmethyl ester
CAS Number: 66207-23-6
Product Number: AG00F9Z2(AGN-PC-009ISN)
Synonyms:
MDL No:
Molecular Formula: C13H15NO2
Molecular Weight: 217.2637

Identification/Properties


Computed Properties
Molecular Weight:
217.268g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
217.11g/mol
Monoisotopic Mass:
217.11g/mol
Topological Polar Surface Area:
29.5A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
257
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

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NMR Spectrum


Other Analytical Data


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