lithium 5-carboxy-2,3-dihydroxyphenolate

C7H5LiO5 — CID 102269214

IUPAClithium 5-carboxy-2,3-dihydroxyphenolate
SMILESO=C(O)c1cc([O-])c(O)c(O)c1.[Li+]
InChIInChI=1S/C7H6O5.Li/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);/q;+1/p-1
InChIKeyMNKMDLVKGZBOEW-UHFFFAOYSA-M
MW176.05 g/mol
LogP-3.13
Rot. Bonds1

About lithium 5-carboxy-2,3-dihydroxyphenolate

lithium 5-carboxy-2,3-dihydroxyphenolate (PubChem CID 102269214) has the molecular formula C7H5LiO5 and a molecular weight of 176.05 g/mol. Its IUPAC name is lithium 5-carboxy-2,3-dihydroxyphenolate.

Molecular Properties

Compound Namelithium 5-carboxy-2,3-dihydroxyphenolate
PubChem CID102269214
Molecular FormulaC7H5LiO5
Molecular Weight176.05 g/mol
Exact Mass176.03
IUPAC Namelithium 5-carboxy-2,3-dihydroxyphenolate
SMILESO=C(O)c1cc([O-])c(O)c(O)c1.[Li+]
InChIInChI=1S/C7H6O5.Li/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);/q;+1/p-1
InChIKeyMNKMDLVKGZBOEW-UHFFFAOYSA-M
XLogP-3.13
TPSA100.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.05
LogP ≤ 5-3.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

magnesium;hydride;3,4,5-trihydroxybenzoic acid
CID 173071823
3,4,5-trihydroxybenzoic acid
CID 370
bismuth;5-carboxybenzene-1,2,3-triolate;molecular hydrogen;bis(3,4,5-trihydroxybenzoic acid)
CID 170844576
CID 173368262
CID 173368262
benzene-1,3,5-tricarboxylic acid;3,4,5-trihydroxybenzoic acid
CID 174934845
silver;3,4,5-trihydroxybenzoic acid
CID 87285421
silane;3,4,5-trihydroxybenzoic acid
CID 174840630
lithium;lanthanum;3,4,5-trihydroxybenzoate;tris(3,4,5-trihydroxybenzoic acid)
CID 153347534
bismuthane;copper;3,4,5-trihydroxybenzoic acid
CID 175210163
strontium;hydride;3,4,5-trihydroxybenzoic acid
CID 173029021
CID 174741030
CID 174741030
bismuth 4-carboxy-2,6-dihydroxyphenolate
CID 54698176

Frequently Asked Questions

What is the IUPAC name of lithium 5-carboxy-2,3-dihydroxyphenolate?
The IUPAC name of lithium 5-carboxy-2,3-dihydroxyphenolate (CID 102269214) is lithium 5-carboxy-2,3-dihydroxyphenolate.
What is the SMILES notation for lithium 5-carboxy-2,3-dihydroxyphenolate?
The canonical SMILES for lithium 5-carboxy-2,3-dihydroxyphenolate is O=C(O)c1cc([O-])c(O)c(O)c1.[Li+].
What is the InChIKey of lithium 5-carboxy-2,3-dihydroxyphenolate?
The InChIKey is MNKMDLVKGZBOEW-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O5.Li/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);/q;+1/p-1.
What are the key properties of lithium 5-carboxy-2,3-dihydroxyphenolate?
lithium 5-carboxy-2,3-dihydroxyphenolate has a molecular weight of 176.05 g/mol, XLogP of -3.13, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-carboxy-2,3-dihydroxyphenolate is sourced from PubChem (CID 102269214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).