1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-


Chemical Name: 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-
CAS Number: 126-11-4
Product Number: AG000QOA(AGN-PC-00FS5D)
Synonyms:
MDL No:
Molecular Formula: C4H9NO5
Molecular Weight: 151.1180

Identification/Properties


Properties
MP:
160°C
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
151.118g/mol
XLogP3:
-2.2
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
151.048g/mol
Monoisotopic Mass:
151.048g/mol
Topological Polar Surface Area:
107A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
107
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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