3-Pyridinecarboxylic acid, 1,4,5,6-tetrahydro-, methyl ester


Chemical Name: 3-Pyridinecarboxylic acid, 1,4,5,6-tetrahydro-, methyl ester
CAS Number: 14997-05-8
Product Number: AG00B4RF(AGN-PC-0JU7M8)
Synonyms:
MDL No: MFCD05669331
Molecular Formula: C7H11NO2
Molecular Weight: 141.1677

Identification/Properties


Computed Properties
Molecular Weight:
141.17g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
141.079g/mol
Monoisotopic Mass:
141.079g/mol
Topological Polar Surface Area:
38.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
163
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


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