1,2-Propanediol, 3-(2-nitro-1H-imidazol-1-yl)-


Chemical Name: 1,2-Propanediol, 3-(2-nitro-1H-imidazol-1-yl)-
CAS Number: 13551-92-3
Product Number: AG006YUX(AGN-PC-0JKILM)
Synonyms:
MDL No:
Molecular Formula: C6H9N3O4
Molecular Weight: 187.1534

Identification/Properties


Computed Properties
Molecular Weight:
187.155g/mol
XLogP3:
-1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
187.059g/mol
Monoisotopic Mass:
187.059g/mol
Topological Polar Surface Area:
104A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
183
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
1759
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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