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Home > Nitro Compounds > 867152-94-1
867152-94-1 | 2H-Pyran-2-one, 4-ethoxy-5,6-dihydro-6-methyl-6-(4-nitrophenyl)-
CAS No: 867152-94-1 Catalog No: AG004O5J MDL No:
Product Description
Catalog Number:
AG004O5J
Chemical Name:
2H-Pyran-2-one, 4-ethoxy-5,6-dihydro-6-methyl-6-(4-nitrophenyl)-
CAS Number:
867152-94-1
Molecular Formula:
C14H15NO5
Molecular Weight:
277.2726
IUPAC Name:
4-ethoxy-2-methyl-2-(4-nitrophenyl)-3H-pyran-6-one
InChI:
InChI=1S/C14H15NO5/c1-3-19-12-8-13(16)20-14(2,9-12)10-4-6-11(7-5-10)15(17)18/h4-8H,3,9H2,1-2H3
InChI Key:
SPIZRSCKNQGSID-UHFFFAOYSA-N
SMILES:
CCOC1=CC(=O)OC(C1)(C)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.276g/mol
Monoisotopic Mass:
277.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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