200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 872992-31-9
872992-31-9 | 1,3-Propanediol, 2-(5-ethoxy-2,4-dinitrophenyl)-
CAS No: 872992-31-9 Catalog No: AG004HY7 MDL No:
Product Description
Catalog Number:
AG004HY7
Chemical Name:
1,3-Propanediol, 2-(5-ethoxy-2,4-dinitrophenyl)-
CAS Number:
872992-31-9
Molecular Formula:
C11H14N2O7
Molecular Weight:
286.2381
IUPAC Name:
2-(5-ethoxy-2,4-dinitrophenyl)propane-1,3-diol
InChI:
InChI=1S/C11H14N2O7/c1-2-20-11-3-8(7(5-14)6-15)9(12(16)17)4-10(11)13(18)19/h3-4,7,14-15H,2,5-6H2,1H3
InChI Key:
VUPATLLHDXBZFT-UHFFFAOYSA-N
SMILES:
CCOc1cc(C(CO)CO)c(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.24g/mol
Monoisotopic Mass:
286.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.