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Home > Nitro Compounds > 89729-74-8
89729-74-8 | 1,3-Dioxane, 5-(2-methyl-4-nitrophenyl)-
CAS No: 89729-74-8 Catalog No: AG0087U0 MDL No:
Product Description
Catalog Number:
AG0087U0
Chemical Name:
1,3-Dioxane, 5-(2-methyl-4-nitrophenyl)-
CAS Number:
89729-74-8
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
IUPAC Name:
5-(2-methyl-4-nitrophenyl)-1,3-dioxane
InChI:
InChI=1S/C11H13NO4/c1-8-4-10(12(13)14)2-3-11(8)9-5-15-7-16-6-9/h2-4,9H,5-7H2,1H3
InChI Key:
DQMMOSANDJRVCU-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1C1COCOC1)[N+](=O)[O-]
Properties
Complexity:
247
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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