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Home > Nitro Compounds > 15795-62-7
15795-62-7 | 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(4-nitrophenyl)methylene]-
CAS No: 15795-62-7 Catalog No: AG001PUH MDL No:
Product Description
Catalog Number:
AG001PUH
Chemical Name:
1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(4-nitrophenyl)methylene]-
CAS Number:
15795-62-7
Molecular Formula:
C13H11NO6
Molecular Weight:
277.2295
IUPAC Name:
2,2-dimethyl-5-[(4-nitrophenyl)methylidene]-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C13H11NO6/c1-13(2)19-11(15)10(12(16)20-13)7-8-3-5-9(6-4-8)14(17)18/h3-7H,1-2H3
InChI Key:
FCDZHNDUCXHXLS-UHFFFAOYSA-N
SMILES:
O=C1OC(C)(C)OC(=O)C1=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.059g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.232g/mol
Monoisotopic Mass:
277.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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