copper;2-carboxy-5-hydroxyphenolate;2,4-dioxidobenzoate

C14H8CuO8-2 — CID 170844222

IUPACcopper;2-carboxy-5-hydroxyphenolate;2,4-dioxidobenzoate
SMILESO=C(O)c1ccc(O)cc1[O-].O=C([O-])c1ccc([O-])cc1[O-].[Cu+2]
InChIInChI=1S/2C7H6O4.Cu/c2*8-4-1-2-5(7(10)11)6(9)3-4;/h2*1-3,8-9H,(H,10,11);/q;;+2/p-4
InChIKeyUCPROVVOIQFRKZ-UHFFFAOYSA-J
MW367.76 g/mol
LogP-1.64
Rot. Bonds2

About copper;2-carboxy-5-hydroxyphenolate;2,4-dioxidobenzoate

copper;2-carboxy-5-hydroxyphenolate;2,4-dioxidobenzoate (PubChem CID 170844222) has the molecular formula C14H8CuO8-2 and a molecular weight of 367.76 g/mol. Its IUPAC name is copper;2-carboxy-5-hydroxyphenolate;2,4-dioxidobenzoate.

Molecular Properties

Compound Namecopper;2-carboxy-5-hydroxyphenolate;2,4-dioxidobenzoate
PubChem CID170844222
Molecular FormulaC14H8CuO8-2
Molecular Weight367.76 g/mol
Exact Mass366.95
IUPAC Namecopper;2-carboxy-5-hydroxyphenolate;2,4-dioxidobenzoate
SMILESO=C(O)c1ccc(O)cc1[O-].O=C([O-])c1ccc([O-])cc1[O-].[Cu+2]
InChIInChI=1S/2C7H6O4.Cu/c2*8-4-1-2-5(7(10)11)6(9)3-4;/h2*1-3,8-9H,(H,10,11);/q;;+2/p-4
InChIKeyUCPROVVOIQFRKZ-UHFFFAOYSA-J
XLogP-1.64
TPSA166.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.76
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

CID 54715072
CID 54715072
azanium 2-carboxy-4-hydroxyphenolate
CID 54715378
2-carboxy-5-hydroxyphenolate;trihexyl(tetradecyl)phosphanium
CID 158846736
4,6-dioxidobenzene-1,3-dicarboxylate
CID 140752440
2,4-dihydroxybenzoic acid
CID 1491
4-hydroxyphthalic acid;hydrate
CID 171991193
calcium;2-hexyl-5-hydroxybenzoic acid;2-hexyl-5-oxidobenzoate
CID 101311063
2-carboxy-5-methylphenolate
CID 54675829
sodium 2,4,5-tricarboxybenzoate
CID 100958061
cesium 3-amino-4-carboxyphenolate
CID 23698247
cesium 5-amino-2-carboxyphenolate
CID 23674816
cesium 2-amino-4-hydroxybenzoate
CID 23687369

Frequently Asked Questions

What is the IUPAC name of copper;2-carboxy-5-hydroxyphenolate;2,4-dioxidobenzoate?
The IUPAC name of copper;2-carboxy-5-hydroxyphenolate;2,4-dioxidobenzoate (CID 170844222) is copper;2-carboxy-5-hydroxyphenolate;2,4-dioxidobenzoate.
What is the SMILES notation for copper;2-carboxy-5-hydroxyphenolate;2,4-dioxidobenzoate?
The canonical SMILES for copper;2-carboxy-5-hydroxyphenolate;2,4-dioxidobenzoate is O=C(O)c1ccc(O)cc1[O-].O=C([O-])c1ccc([O-])cc1[O-].[Cu+2].
What is the InChIKey of copper;2-carboxy-5-hydroxyphenolate;2,4-dioxidobenzoate?
The InChIKey is UCPROVVOIQFRKZ-UHFFFAOYSA-J. The full InChI is InChI=1S/2C7H6O4.Cu/c2*8-4-1-2-5(7(10)11)6(9)3-4;/h2*1-3,8-9H,(H,10,11);/q;;+2/p-4.
What are the key properties of copper;2-carboxy-5-hydroxyphenolate;2,4-dioxidobenzoate?
copper;2-carboxy-5-hydroxyphenolate;2,4-dioxidobenzoate has a molecular weight of 367.76 g/mol, XLogP of -1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-carboxy-5-hydroxyphenolate;2,4-dioxidobenzoate is sourced from PubChem (CID 170844222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).