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16672-29-0 | Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acid
CAS No: 16672-29-0 Catalog No: AG001WW9 MDL No:
Product Description
Catalog Number:
AG001WW9
Chemical Name:
Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acid
CAS Number:
16672-29-0
Molecular Formula:
C12H12O8
Molecular Weight:
284.2189
IUPAC Name:
bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acid
InChI:
InChI=1S/C12H12O8/c13-9(14)5-3-1-2-4(7(5)11(17)18)8(12(19)20)6(3)10(15)16/h1-8H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChI Key:
BKDVBBSUAGJUBA-UHFFFAOYSA-N
SMILES:
OC(=O)C1C2C=CC(C1C(=O)O)C(C2C(=O)O)C(=O)O
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.053g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
284.22g/mol
Monoisotopic Mass:
284.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
Literature
| Title | Journal |
|---|---|
| Tetra-aqua-(1,10-phenanthroline)nickel(II) 3,6-dicarboxy-bicyclo-[2.2.2]oct-7-ene-2,5-dicarboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20090801 |
| Poly[[(μ(3)-5,6-dicarboxy-bicyclo-[2.2.2]oct-7-ene-2,3-dicarboxyl-ato)(1,10-phenanthroline)copper(II)] monohydrate]. | Acta crystallographica. Section E, Structure reports online 20081201 |
| Tetra-aqua-(1,10-phenanthroline)zinc(II) 3,6-dicarboxy-bicyclo-[2.2.2]oct-7-ene-2,5-dicarboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20080901 |
| Bicyclo-[2.2.2]oct-7-ene-2,3,5,6-tetra-carboxylic dianhydride. | Acta crystallographica. Section E, Structure reports online 20080601 |
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