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24374-38-7 | 1H-Imidazole,1-hydroxy-4-methyl-, 3-oxide
CAS No: 24374-38-7 Catalog No: AG007NMR MDL No:
Product Description
Catalog Number:
AG007NMR
Chemical Name:
1H-Imidazole,1-hydroxy-4-methyl-, 3-oxide
CAS Number:
24374-38-7
Molecular Formula:
C4H6N2O2
Molecular Weight:
114.1026
IUPAC Name:
1-hydroxy-4-methyl-3-oxidoimidazol-3-ium
InChI:
InChI=1S/C4H6N2O2/c1-4-2-5(7)3-6(4)8/h2-3,7H,1H3
InChI Key:
VYNJQZZELSAPLR-UHFFFAOYSA-N
SMILES:
On1c[n+](c(c1)C)[O-]
EC Number:
246-210-8
Properties
Complexity:
88.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.043g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.104g/mol
Monoisotopic Mass:
114.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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