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Home > Nitro Compounds > 1199783-06-6
1199783-06-6 | 3(2H)-Benzofuranone, 4-nitro-
CAS No: 1199783-06-6 Catalog No: AG000PYM MDL No:MFCD12828272
Product Description
Catalog Number:
AG000PYM
Chemical Name:
3(2H)-Benzofuranone, 4-nitro-
CAS Number:
1199783-06-6
Molecular Formula:
C8H5NO4
Molecular Weight:
179.1296
MDL Number:
MFCD12828272
IUPAC Name:
4-nitro-1-benzofuran-3-one
InChI:
InChI=1S/C8H5NO4/c10-6-4-13-7-3-1-2-5(8(6)7)9(11)12/h1-3H,4H2
InChI Key:
WEPQVVSBNQBVCO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1C(=O)CO2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.131g/mol
Monoisotopic Mass:
179.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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