200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 131287-51-9
131287-51-9 | 1,2,3-Propanetriol, 1,2-dinitro-
CAS No: 131287-51-9 Catalog No: AG000VUW MDL No:
Product Description
Catalog Number:
AG000VUW
Chemical Name:
1,2,3-Propanetriol, 1,2-dinitro-
CAS Number:
131287-51-9
Molecular Formula:
C3H6N2O7
Molecular Weight:
182.0889
IUPAC Name:
1,2-dinitropropane-1,2,3-triol
InChI:
InChI=1S/C3H6N2O7/c6-1-3(8,5(11)12)2(7)4(9)10/h2,6-8H,1H2
InChI Key:
ROCADRLEZNOROK-UHFFFAOYSA-N
SMILES:
OCC(C([N+](=O)[O-])O)([N+](=O)[O-])O
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.018g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
182.088g/mol
Monoisotopic Mass:
182.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.