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Home > Imidazoles > 79713-03-4
79713-03-4 | 5-hydroxy-3H-imidazole-4-carbonitrile
CAS No: 79713-03-4 Catalog No: AG00508J MDL No:
Product Description
Catalog Number:
AG00508J
Chemical Name:
5-hydroxy-3H-imidazole-4-carbonitrile
CAS Number:
79713-03-4
Molecular Formula:
C4H3N3O
Molecular Weight:
109.0861
IUPAC Name:
4-hydroxy-1H-imidazole-5-carbonitrile
InChI:
InChI=1S/C4H3N3O/c5-1-3-4(8)7-2-6-3/h2,8H,(H,6,7)
InChI Key:
WMJORRSQKXCYDF-UHFFFAOYSA-N
SMILES:
Oc1nc[nH]c1C#N
NSC Number:
353745
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.028g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
109.088g/mol
Monoisotopic Mass:
109.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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