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Home > Nitro Compounds > 79718-94-8
79718-94-8 | 5,5-DIMETHYL-2-(2-NITROPHENYL)-1,3-DIOXANE
CAS No: 79718-94-8 Catalog No: AG005HHS MDL No:
Product Description
Catalog Number:
AG005HHS
Chemical Name:
5,5-DIMETHYL-2-(2-NITROPHENYL)-1,3-DIOXANE
CAS Number:
79718-94-8
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
5,5-dimethyl-2-(2-nitrophenyl)-1,3-dioxane
InChI:
InChI=1S/C12H15NO4/c1-12(2)7-16-11(17-8-12)9-5-3-4-6-10(9)13(14)15/h3-6,11H,7-8H2,1-2H3
InChI Key:
PSKJVABQWREEDF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1C1OCC(CO1)(C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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