sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitros 2-Methyl-2-nitro-1,3-propanediol

2-Methyl-2-nitro-1,3-propanediol

CAS No.:
77-49-6
Catalog Number:
AG003HLX
Molecular Formula:
C4H9NO4
Molecular Weight:
135.1186
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$38
- +
5g
95%
In Stock USA
United States
$100
- +
25g
95%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG003HLX
Chemical Name:
2-Methyl-2-nitro-1,3-propanediol
CAS Number:
77-49-6
Molecular Formula:
C4H9NO4
Molecular Weight:
135.1186
MDL Number:
MFCD00024812
IUPAC Name:
2-methyl-2-nitropropane-1,3-diol
InChI:
InChI=1S/C4H9NO4/c1-4(2-6,3-7)5(8)9/h6-7H,2-3H2,1H3
InChI Key:
LOTYADDQWWVBDJ-UHFFFAOYSA-N
SMILES:
OCC([N+](=O)[O-])(CO)C
EC Number:
201-031-4
UNII:
31TD71126R
NSC Number:
5372
Properties
Complexity:
104  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.053g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
135.119g/mol
Monoisotopic Mass:
135.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  
Literature
Title Journal
Aliphatic beta-nitroalcohols for therapeutic corneoscleral cross-linking: chemical mechanisms and higher order nitroalcohols. Investigative ophthalmology & visual science 20100201
Properties