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Home > Nitro Compounds > 130735-71-6
130735-71-6 | 4H-1-Benzopyran-4-one, 2-(4-morpholinyl)-6-nitro-
CAS No: 130735-71-6 Catalog No: AG000UVZ MDL No:
Product Description
Catalog Number:
AG000UVZ
Chemical Name:
4H-1-Benzopyran-4-one, 2-(4-morpholinyl)-6-nitro-
CAS Number:
130735-71-6
Molecular Formula:
C13H12N2O5
Molecular Weight:
276.2448
IUPAC Name:
2-morpholin-4-yl-6-nitrochromen-4-one
InChI:
InChI=1S/C13H12N2O5/c16-11-8-13(14-3-5-19-6-4-14)20-12-2-1-9(15(17)18)7-10(11)12/h1-2,7-8H,3-6H2
InChI Key:
FEPWPCJBBOUBEB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(=O)cc(o2)N1CCOCC1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.075g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.248g/mol
Monoisotopic Mass:
276.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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