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114291-45-1 | 2H-Pyran-2,4(3H)-dione, dihydro-6-methyl-3-(2-nitrobenzoyl)-
CAS No: 114291-45-1 Catalog No: AG000AZ5 MDL No:
Product Description
Catalog Number:
AG000AZ5
Chemical Name:
2H-Pyran-2,4(3H)-dione, dihydro-6-methyl-3-(2-nitrobenzoyl)-
CAS Number:
114291-45-1
Molecular Formula:
C13H11NO6
Molecular Weight:
277.2295
IUPAC Name:
6-methyl-3-(2-nitrobenzoyl)oxane-2,4-dione
InChI:
InChI=1S/C13H11NO6/c1-7-6-10(15)11(13(17)20-7)12(16)8-4-2-3-5-9(8)14(18)19/h2-5,7,11H,6H2,1H3
InChI Key:
SYVCDZIWSHPMAR-UHFFFAOYSA-N
SMILES:
CC1CC(=O)C(C(=O)O1)C(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
454
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:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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