Nicotinic Acid-13C6


Chemical Name: Nicotinic Acid-13C6
CAS Number: 1189954-79-7
Product Number: AG008WBF(AGN-PC-0WAG09)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties


Computed Properties
Molecular Weight:
129.065g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
129.052g/mol
Monoisotopic Mass:
129.052g/mol
Topological Polar Surface Area:
50.2A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
114
Isotope Atom Count:
6
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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