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56750-04-0 | β,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol
CAS No: 56750-04-0 Catalog No: AG01E6FX MDL No:
Product Description
Catalog Number:
AG01E6FX
Chemical Name:
β,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol
CAS Number:
56750-04-0
IUPAC Name:
2-(2-methyl-5-nitroimidazol-1-yl)propan-1-ol
InChI:
InChI=1S/C7H11N3O3/c1-5(4-11)9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3
InChI Key:
QBBJCFDTZBBBRB-UHFFFAOYSA-N
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.183g/mol
Monoisotopic Mass:
185.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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