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88220-88-6 | 2-Benzofurancarboxylic acid, 6-hydroxy-7-nitro-
CAS No: 88220-88-6 Catalog No: AG004DEZ MDL No:
Product Description
Catalog Number:
AG004DEZ
Chemical Name:
2-Benzofurancarboxylic acid, 6-hydroxy-7-nitro-
CAS Number:
88220-88-6
Molecular Formula:
C9H5NO6
Molecular Weight:
223.1391
IUPAC Name:
6-hydroxy-7-nitro-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C9H5NO6/c11-5-2-1-4-3-6(9(12)13)16-8(4)7(5)10(14)15/h1-3,11H,(H,12,13)
InChI Key:
OVAOYCIFWREPSJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(O)ccc2c1oc(c2)C(=O)O
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.012g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.14g/mol
Monoisotopic Mass:
223.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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