200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 835-72-3
835-72-3 | 1,3-Dioxane, 4-methyl-2-(4-nitrophenyl)-
CAS No: 835-72-3 Catalog No: AG004Z9X MDL No:
Product Description
Catalog Number:
AG004Z9X
Chemical Name:
1,3-Dioxane, 4-methyl-2-(4-nitrophenyl)-
CAS Number:
835-72-3
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
IUPAC Name:
4-methyl-2-(4-nitrophenyl)-1,3-dioxane
InChI:
InChI=1S/C11H13NO4/c1-8-6-7-15-11(16-8)9-2-4-10(5-3-9)12(13)14/h2-5,8,11H,6-7H2,1H3
InChI Key:
OHSIUDJXOSSFJJ-UHFFFAOYSA-N
SMILES:
CC1CCOC(O1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.