2-Furancarboxylic acid, 5-cyano-


Chemical Name: 2-Furancarboxylic acid, 5-cyano-
CAS Number: 212197-74-5
Product Number: AG00C4E0(AGN-PC-0NBPJX)
Synonyms:
MDL No:
Molecular Formula: C6H3NO3
Molecular Weight: 137.0929

Identification/Properties


Computed Properties
Molecular Weight:
137.094g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
137.011g/mol
Monoisotopic Mass:
137.011g/mol
Topological Polar Surface Area:
74.2A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
192
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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