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Home > Nitro Compounds > 840-05-1
840-05-1 | Acetamide, N-(8-nitro-2-oxo-2H-1-benzopyran-3-yl)-
CAS No: 840-05-1 Catalog No: AG004U8I MDL No:
Product Description
Catalog Number:
AG004U8I
Chemical Name:
Acetamide, N-(8-nitro-2-oxo-2H-1-benzopyran-3-yl)-
CAS Number:
840-05-1
Molecular Formula:
C11H8N2O5
Molecular Weight:
248.1916
IUPAC Name:
N-(8-nitro-2-oxochromen-3-yl)acetamide
InChI:
InChI=1S/C11H8N2O5/c1-6(14)12-8-5-7-3-2-4-9(13(16)17)10(7)18-11(8)15/h2-5H,1H3,(H,12,14)
InChI Key:
WMOWPQGUZSANTO-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc2cccc(c2oc1=O)[N+](=O)[O-]
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.043g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.194g/mol
Monoisotopic Mass:
248.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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