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62580-80-7 | 3-(2-methyl-5-nitroimidazole-1-yl)-1,2-propanediol
CAS No: 62580-80-7 Catalog No: AG00F5FC MDL No:
Product Description
Catalog Number:
AG00F5FC
Chemical Name:
3-(2-methyl-5-nitroimidazole-1-yl)-1,2-propanediol
CAS Number:
62580-80-7
IUPAC Name:
3-(2-methyl-5-nitroimidazol-1-yl)propane-1,2-diol
InChI:
InChI=1S/C7H11N3O4/c1-5-8-2-7(10(13)14)9(5)3-6(12)4-11/h2,6,11-12H,3-4H2,1H3
InChI Key:
QQNYOVQUGLPEFB-UHFFFAOYSA-N
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.182g/mol
Monoisotopic Mass:
201.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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