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Home > Imidazoles > 139484-64-3
139484-64-3 | 1H-Imidazole, 2,5-dihydro-1-hydroxy-2,5,5-trimethyl-, 3-oxide
CAS No: 139484-64-3 Catalog No: AG001B4A MDL No:
Product Description
Catalog Number:
AG001B4A
Chemical Name:
1H-Imidazole, 2,5-dihydro-1-hydroxy-2,5,5-trimethyl-, 3-oxide
CAS Number:
139484-64-3
Molecular Formula:
C6H12N2O2
Molecular Weight:
144.1717
IUPAC Name:
3-hydroxy-2,4,4-trimethyl-1-oxido-2H-imidazol-1-ium
InChI:
InChI=1S/C6H12N2O2/c1-5-7(9)4-6(2,3)8(5)10/h4-5,10H,1-3H3
InChI Key:
FGRBWIZPMULBTL-UHFFFAOYSA-N
SMILES:
[O-][N+]1=CC(N(C1C)O)(C)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.09g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.174g/mol
Monoisotopic Mass:
144.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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