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131-76-0 | 2,3-Benzofurandicarboxylic acid
CAS No: 131-76-0 Catalog No: AG000VB6 MDL No:MFCD05863264
Product Description
Catalog Number:
AG000VB6
Chemical Name:
2,3-Benzofurandicarboxylic acid
CAS Number:
131-76-0
Molecular Formula:
C10H6O5
Molecular Weight:
206.1516
MDL Number:
MFCD05863264
IUPAC Name:
1-benzofuran-2,3-dicarboxylic acid
InChI:
InChI=1S/C10H6O5/c11-9(12)7-5-3-1-2-4-6(5)15-8(7)10(13)14/h1-4H,(H,11,12)(H,13,14)
InChI Key:
FAEMVAVNTRSKEZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(oc2c1cccc2)C(=O)O
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.022g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.153g/mol
Monoisotopic Mass:
206.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Hydrogen bonding and pi-pi interactions in 1-benzofuran-2,3-dicarboxylic acid and its 1:1 cocrystals with pyridine, phenazine and 1,4-phenylenediamine. | Acta crystallographica. Section C, Crystal structure communications 20091201 |
| The coordination polymers poly[mu-4,4'-bipyridyl-di-mu-formato-copper(II)] and catena-poly[[[diaqua(1-benzofuran-2,3-dicarboxylato)copper(II)]-mu-1,2-di-4-pyridylethane] dihydrate]. | Acta crystallographica. Section C, Crystal structure communications 20090501 |
| A unique two-dimensional coordination network of 1-benzofuran-2,3-dicarboxylate with lanthanum(III) obtained by solvothermal synthesis. | Acta crystallographica. Section C, Crystal structure communications 20090401 |
| Square-grid coordination networks of diaquabis(4,4'-bipyridyl)copper(II) crosslinked by hydrogen bonds through two monoanions of 1-benzofuran-2,3-dicarboxylic acid and five molecules of water. | Acta crystallographica. Section C, Crystal structure communications 20090201 |
| Probing the supramolecular interaction synthons of 1-benzofuran-2,3-dicarboxylic acid in its monoanionic form. | Acta crystallographica. Section C, Crystal structure communications 20090101 |
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