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Home > Nitro Compounds > 88353-19-9
88353-19-9 | 2H-1-Benzopyran-2-one, 4-ethoxy-3-nitro-
CAS No: 88353-19-9 Catalog No: AG0045SH MDL No:
Product Description
Catalog Number:
AG0045SH
Chemical Name:
2H-1-Benzopyran-2-one, 4-ethoxy-3-nitro-
CAS Number:
88353-19-9
Molecular Formula:
C11H9NO5
Molecular Weight:
235.1929
IUPAC Name:
4-ethoxy-3-nitrochromen-2-one
InChI:
InChI=1S/C11H9NO5/c1-2-16-10-7-5-3-4-6-8(7)17-11(13)9(10)12(14)15/h3-6H,2H2,1H3
InChI Key:
QVXLOOZQQZPRCI-UHFFFAOYSA-N
SMILES:
CCOc1c([N+](=O)[O-])c(=O)oc2c1cccc2
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.195g/mol
Monoisotopic Mass:
235.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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