200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 6975-22-0
6975-22-0 | 5-ethyl-5-nitro-2-octyl-1,3-dioxane
CAS No: 6975-22-0 Catalog No: AG005I9D MDL No:
Product Description
Catalog Number:
AG005I9D
Chemical Name:
5-ethyl-5-nitro-2-octyl-1,3-dioxane
CAS Number:
6975-22-0
Molecular Formula:
C14H27NO4
Molecular Weight:
273.3685
IUPAC Name:
5-ethyl-5-nitro-2-octyl-1,3-dioxane
InChI:
InChI=1S/C14H27NO4/c1-3-5-6-7-8-9-10-13-18-11-14(4-2,12-19-13)15(16)17/h13H,3-12H2,1-2H3
InChI Key:
GAYAUSDHVRPICO-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1OCC(CO1)(CC)[N+](=O)[O-]
NSC Number:
22099
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.194g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.373g/mol
Monoisotopic Mass:
273.194g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.