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Home > Nitro Compounds > 114476-36-7
114476-36-7 | 2H-1-Benzopyran-2-one, 7-ethoxy-4-methyl-8-nitro-
CAS No: 114476-36-7 Catalog No: AG000EHA MDL No:
Product Description
Catalog Number:
AG000EHA
Chemical Name:
2H-1-Benzopyran-2-one, 7-ethoxy-4-methyl-8-nitro-
CAS Number:
114476-36-7
Molecular Formula:
C12H11NO5
Molecular Weight:
249.2194
IUPAC Name:
7-ethoxy-4-methyl-8-nitrochromen-2-one
InChI:
InChI=1S/C12H11NO5/c1-3-17-9-5-4-8-7(2)6-10(14)18-12(8)11(9)13(15)16/h4-6H,3H2,1-2H3
InChI Key:
KKDBUUIQYBQUEN-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1[N+](=O)[O-])oc(=O)cc2C
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.222g/mol
Monoisotopic Mass:
249.064g/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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