benzene-1,2,4,5-tetracarboxylic acid;cobalt;tetrakis(1H-imidazole);dihydrate

C22H26Co4N8O10 — CID 4961424

IUPACbenzene-1,2,4,5-tetracarboxylic acid;cobalt;tetrakis(1H-imidazole);dihydrate
SMILESO.O.O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O.[Co].[Co].[Co].[Co].c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1
InChIInChI=1S/C10H6O8.4C3H4N2.4Co.2H2O/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;4*1-2-5-3-4-1;;;;;;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*1-3H,(H,4,5);;;;;2*1H2
InChIKeyFVRKCUNDOMMWRK-UHFFFAOYSA-N
MW798.23 g/mol
LogP0.46
Rot. Bonds4

About benzene-1,2,4,5-tetracarboxylic acid;cobalt;tetrakis(1H-imidazole);dihydrate

benzene-1,2,4,5-tetracarboxylic acid;cobalt;tetrakis(1H-imidazole);dihydrate (PubChem CID 4961424) has the molecular formula C22H26Co4N8O10 and a molecular weight of 798.23 g/mol. Its IUPAC name is benzene-1,2,4,5-tetracarboxylic acid;cobalt;tetrakis(1H-imidazole);dihydrate.

Molecular Properties

Compound Namebenzene-1,2,4,5-tetracarboxylic acid;cobalt;tetrakis(1H-imidazole);dihydrate
PubChem CID4961424
Molecular FormulaC22H26Co4N8O10
Molecular Weight798.23 g/mol
Exact Mass797.91
IUPAC Namebenzene-1,2,4,5-tetracarboxylic acid;cobalt;tetrakis(1H-imidazole);dihydrate
SMILESO.O.O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O.[Co].[Co].[Co].[Co].c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1
InChIInChI=1S/C10H6O8.4C3H4N2.4Co.2H2O/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;4*1-2-5-3-4-1;;;;;;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*1-3H,(H,4,5);;;;;2*1H2
InChIKeyFVRKCUNDOMMWRK-UHFFFAOYSA-N
XLogP0.46
TPSA326.92 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.23
LogP ≤ 50.46
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of benzene-1,2,4,5-tetracarboxylic acid;cobalt;tetrakis(1H-imidazole);dihydrate?
The IUPAC name of benzene-1,2,4,5-tetracarboxylic acid;cobalt;tetrakis(1H-imidazole);dihydrate (CID 4961424) is benzene-1,2,4,5-tetracarboxylic acid;cobalt;tetrakis(1H-imidazole);dihydrate.
What is the SMILES notation for benzene-1,2,4,5-tetracarboxylic acid;cobalt;tetrakis(1H-imidazole);dihydrate?
The canonical SMILES for benzene-1,2,4,5-tetracarboxylic acid;cobalt;tetrakis(1H-imidazole);dihydrate is O.O.O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O.[Co].[Co].[Co].[Co].c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.
What is the InChIKey of benzene-1,2,4,5-tetracarboxylic acid;cobalt;tetrakis(1H-imidazole);dihydrate?
The InChIKey is FVRKCUNDOMMWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O8.4C3H4N2.4Co.2H2O/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;4*1-2-5-3-4-1;;;;;;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*1-3H,(H,4,5);;;;;2*1H2.
What are the key properties of benzene-1,2,4,5-tetracarboxylic acid;cobalt;tetrakis(1H-imidazole);dihydrate?
benzene-1,2,4,5-tetracarboxylic acid;cobalt;tetrakis(1H-imidazole);dihydrate has a molecular weight of 798.23 g/mol, XLogP of 0.46, 4 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,4,5-tetracarboxylic acid;cobalt;tetrakis(1H-imidazole);dihydrate is sourced from PubChem (CID 4961424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).