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Home Nitros 2-(Hydroxymethyl)-2-nitropropane-1,3-diol

2-(Hydroxymethyl)-2-nitropropane-1,3-diol

CAS No.:
126-11-4
Catalog Number:
AG000QOA
Molecular Formula:
C4H9NO5
Molecular Weight:
151.1180
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$33
- +
25g
95%
In Stock USA
United States
$40
- +
100g
95%
In Stock USA
United States
$61
- +
500g
95%
In Stock USA
United States
$160
- +
Product Description
Catalog Number:
AG000QOA
Chemical Name:
2-(Hydroxymethyl)-2-nitropropane-1,3-diol
CAS Number:
126-11-4
Molecular Formula:
C4H9NO5
Molecular Weight:
151.1180
MDL Number:
MFCD11707247
IUPAC Name:
2-(hydroxymethyl)-2-nitropropane-1,3-diol
InChI:
InChI=1S/C4H9NO5/c6-1-4(2-7,3-8)5(9)10/h6-8H,1-3H2
InChI Key:
OLQJQHSAWMFDJE-UHFFFAOYSA-N
SMILES:
OCC([N+](=O)[O-])(CO)CO
EC Number:
204-769-5
UNII:
3E794G4ZRB
Properties
Complexity:
107  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.048g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
151.118g/mol
Monoisotopic Mass:
151.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2  
Literature
Title Journal
Synthesis of tris-hydroxymethyl-based nitrone derivatives with highly reactive nitronyl carbon. The Journal of organic chemistry 20120120
Bioactive compounds and biological activities of Jatropha curcas L. kernel meal extract. International journal of molecular sciences 20110101
Formaldehyde-releasers: relationship to formaldehyde contact allergy. Part 2: Metalworking fluids and remainder. Contact dermatitis 20100901
Efficient synthesis of a peculiar vicinal diamine semiochemical from Streptomyces natalensis. Organic letters 20100806
Aliphatic beta-nitroalcohols for therapeutic corneoscleral cross-linking: chemical mechanisms and higher order nitroalcohols. Investigative ophthalmology & visual science 20100201
Properties