lithium;2-hydroxybenzoate;oxalic acid

C9H7LiO7 — CID 172798390

IUPAClithium;2-hydroxybenzoate;oxalic acid
SMILESO=C(O)C(=O)O.O=C([O-])c1ccccc1O.[Li+]
InChIInChI=1S/C7H6O3.C2H2O4.Li/c8-6-4-2-1-3-5(6)7(9)10;3-1(4)2(5)6;/h1-4,8H,(H,9,10);(H,3,4)(H,5,6);/q;;+1/p-1
InChIKeyQNCCJOBTKWYVNH-UHFFFAOYSA-M
MW234.09 g/mol
LogP-4.08
Rot. Bonds1

About lithium;2-hydroxybenzoate;oxalic acid

lithium;2-hydroxybenzoate;oxalic acid (PubChem CID 172798390) has the molecular formula C9H7LiO7 and a molecular weight of 234.09 g/mol. Its IUPAC name is lithium;2-hydroxybenzoate;oxalic acid.

Molecular Properties

Compound Namelithium;2-hydroxybenzoate;oxalic acid
PubChem CID172798390
Molecular FormulaC9H7LiO7
Molecular Weight234.09 g/mol
Exact Mass234.04
IUPAC Namelithium;2-hydroxybenzoate;oxalic acid
SMILESO=C(O)C(=O)O.O=C([O-])c1ccccc1O.[Li+]
InChIInChI=1S/C7H6O3.C2H2O4.Li/c8-6-4-2-1-3-5(6)7(9)10;3-1(4)2(5)6;/h1-4,8H,(H,9,10);(H,3,4)(H,5,6);/q;;+1/p-1
InChIKeyQNCCJOBTKWYVNH-UHFFFAOYSA-M
XLogP-4.08
TPSA134.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 5-4.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 67386197
pentakis(lead(2+));phthalate
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trimagnesium;phthalate
CID 142758668
lead(2+) dihydride;phthalate
CID 155293254
nickel(2+);phthalate
CID 15798393
sodium;hydrogen carbonate;2-hydroxybenzoic acid
CID 70482826
dilithium;hydride;2-hydroxybenzoic acid
CID 173002091
2-hydroxybenzoic acid;mercury(2+);2-oxidobenzoate;tetrahydrate
CID 170842631
dioxidanium;bis(2-hydroxybenzoate);hexakis((2-hydroxyphenyl)methanediol);terbium
CID 11980569
disodium;hydron;phthalate
CID 23089010
bis(lead(2+));phthalate;dihydroxide
CID 102446618

Frequently Asked Questions

What is the IUPAC name of lithium;2-hydroxybenzoate;oxalic acid?
The IUPAC name of lithium;2-hydroxybenzoate;oxalic acid (CID 172798390) is lithium;2-hydroxybenzoate;oxalic acid.
What is the SMILES notation for lithium;2-hydroxybenzoate;oxalic acid?
The canonical SMILES for lithium;2-hydroxybenzoate;oxalic acid is O=C(O)C(=O)O.O=C([O-])c1ccccc1O.[Li+].
What is the InChIKey of lithium;2-hydroxybenzoate;oxalic acid?
The InChIKey is QNCCJOBTKWYVNH-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O3.C2H2O4.Li/c8-6-4-2-1-3-5(6)7(9)10;3-1(4)2(5)6;/h1-4,8H,(H,9,10);(H,3,4)(H,5,6);/q;;+1/p-1.
What are the key properties of lithium;2-hydroxybenzoate;oxalic acid?
lithium;2-hydroxybenzoate;oxalic acid has a molecular weight of 234.09 g/mol, XLogP of -4.08, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-hydroxybenzoate;oxalic acid is sourced from PubChem (CID 172798390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).