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Home > Nitro Compounds > 820965-16-0
820965-16-0 | 4H-Pyran-4-one, 2,3-dihydro-5-methyl-2-(4-nitrophenyl)-
CAS No: 820965-16-0 Catalog No: AG0052I6 MDL No:
Product Description
Catalog Number:
AG0052I6
Chemical Name:
4H-Pyran-4-one, 2,3-dihydro-5-methyl-2-(4-nitrophenyl)-
CAS Number:
820965-16-0
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
5-methyl-2-(4-nitrophenyl)-2,3-dihydropyran-4-one
InChI:
InChI=1S/C12H11NO4/c1-8-7-17-12(6-11(8)14)9-2-4-10(5-3-9)13(15)16/h2-5,7,12H,6H2,1H3
InChI Key:
YFNGRCCULZIBTO-UHFFFAOYSA-N
SMILES:
O=C1CC(OC=C1C)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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