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88220-85-3 | 2-Benzofurancarboxylic acid, 4-hydroxy-7-nitro-
CAS No: 88220-85-3 Catalog No: AG004BOG MDL No:
Product Description
Catalog Number:
AG004BOG
Chemical Name:
2-Benzofurancarboxylic acid, 4-hydroxy-7-nitro-
CAS Number:
88220-85-3
Molecular Formula:
C9H5NO6
Molecular Weight:
223.1391
IUPAC Name:
4-hydroxy-7-nitro-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C9H5NO6/c11-6-2-1-5(10(14)15)8-4(6)3-7(16-8)9(12)13/h1-3,11H,(H,12,13)
InChI Key:
HNGNSDQGBPTTFX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(o1)c(ccc2O)[N+](=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:
1.7
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