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Home > Nitro Compounds > 19244-22-5
19244-22-5 | 2H-Pyran-2,6(3H)-dione, dihydro-4-methyl-4-(4-nitrophenyl)-
CAS No: 19244-22-5 Catalog No: AG002FZ2 MDL No:
Product Description
Catalog Number:
AG002FZ2
Chemical Name:
2H-Pyran-2,6(3H)-dione, dihydro-4-methyl-4-(4-nitrophenyl)-
CAS Number:
19244-22-5
Molecular Formula:
C12H11NO5
Molecular Weight:
249.2194
IUPAC Name:
4-methyl-4-(4-nitrophenyl)oxane-2,6-dione
InChI:
InChI=1S/C12H11NO5/c1-12(6-10(14)18-11(15)7-12)8-2-4-9(5-3-8)13(16)17/h2-5H,6-7H2,1H3
InChI Key:
HLQRSZCCNPGNON-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)CC(C1)(C)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.222g/mol
Monoisotopic Mass:
249.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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