2,4-Pyridinediol


Chemical Name: 2,4-Pyridinediol
CAS Number: 84719-31-3
Product Number: AG00ILR1(AGN-PC-0OJ9V4)
Synonyms:
MDL No:
Molecular Formula: C5H5NO2
Molecular Weight: 111.0987

Identification/Properties


Computed Properties
Molecular Weight:
111.1g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
111.032g/mol
Monoisotopic Mass:
111.032g/mol
Topological Polar Surface Area:
49.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
169
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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