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Home > Nitro Compounds > 87888-37-7
87888-37-7 | 2H-Pyran-2-one, 4-hydroxy-3-nitro-6-(4-nitrophenyl)-
CAS No: 87888-37-7 Catalog No: AG004E6Q MDL No:
Product Description
Catalog Number:
AG004E6Q
Chemical Name:
2H-Pyran-2-one, 4-hydroxy-3-nitro-6-(4-nitrophenyl)-
CAS Number:
87888-37-7
Molecular Formula:
C11H6N2O7
Molecular Weight:
278.1745
IUPAC Name:
4-hydroxy-3-nitro-6-(4-nitrophenyl)pyran-2-one
InChI:
InChI=1S/C11H6N2O7/c14-8-5-9(20-11(15)10(8)13(18)19)6-1-3-7(4-2-6)12(16)17/h1-5,14H
InChI Key:
GTNYODPJJYYTKC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1cc(O)c(c(=O)o1)[N+](=O)[O-]
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.018g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.176g/mol
Monoisotopic Mass:
278.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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