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2654-28-6 | 1H-Imidazole, 1-hydroxy-2,4,5-trimethyl-, 3-oxide
CAS No: 2654-28-6 Catalog No: AG002TMQ MDL No:MFCD00796983
Product Description
Catalog Number:
AG002TMQ
Chemical Name:
1H-Imidazole, 1-hydroxy-2,4,5-trimethyl-, 3-oxide
CAS Number:
2654-28-6
Molecular Formula:
C6H10N2O2
Molecular Weight:
142.1558
MDL Number:
MFCD00796983
IUPAC Name:
1-hydroxy-2,4,5-trimethyl-3-oxidoimidazol-3-ium
InChI:
InChI=1S/C6H10N2O2/c1-4-5(2)8(10)6(3)7(4)9/h9H,1-3H3
InChI Key:
NEZFAHNOVRRNHD-UHFFFAOYSA-N
SMILES:
Cc1[n+]([O-])c(c(n1O)C)C
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.074g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.158g/mol
Monoisotopic Mass:
142.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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