lithium 2-carboxybenzoate

C8H5LiO4 — CID 67386197

IUPAClithium 2-carboxybenzoate
SMILESO=C([O-])c1ccccc1C(=O)O.[Li+]
InChIInChI=1S/C8H6O4.Li/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+1/p-1
InChIKeyLJURPJZOPVZKTQ-UHFFFAOYSA-M
MW172.06 g/mol
LogP-3.25
Rot. Bonds2

About lithium 2-carboxybenzoate

lithium 2-carboxybenzoate (PubChem CID 67386197) has the molecular formula C8H5LiO4 and a molecular weight of 172.06 g/mol. Its IUPAC name is lithium 2-carboxybenzoate.

Molecular Properties

Compound Namelithium 2-carboxybenzoate
PubChem CID67386197
Molecular FormulaC8H5LiO4
Molecular Weight172.06 g/mol
Exact Mass172.03
IUPAC Namelithium 2-carboxybenzoate
SMILESO=C([O-])c1ccccc1C(=O)O.[Li+]
InChIInChI=1S/C8H6O4.Li/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+1/p-1
InChIKeyLJURPJZOPVZKTQ-UHFFFAOYSA-M
XLogP-3.25
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.06
LogP ≤ 5-3.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-carboxybenzoate;rubidium(1+)
CID 23665340
2-carboxybenzoate;thallium(1+)
CID 101403196
potassium;2-carboxybenzoate;hydrofluoride
CID 174556372
potassium;azane;2-carboxybenzoate
CID 174947787
disilver;phthalate
CID 21449237
pentakis(lead(2+));phthalate
CID 173427098
trimagnesium;phthalate
CID 142758668
dilithium;hydride;phthalic acid
CID 173011412
lead(2+) dihydride;phthalate
CID 155293254
nickel(2+);phthalate
CID 15798393
bis(lead(2+));phthalate;dihydroxide
CID 102446618
disodium;hydron;phthalate
CID 23089010

Frequently Asked Questions

What is the IUPAC name of lithium 2-carboxybenzoate?
The IUPAC name of lithium 2-carboxybenzoate (CID 67386197) is lithium 2-carboxybenzoate.
What is the SMILES notation for lithium 2-carboxybenzoate?
The canonical SMILES for lithium 2-carboxybenzoate is O=C([O-])c1ccccc1C(=O)O.[Li+].
What is the InChIKey of lithium 2-carboxybenzoate?
The InChIKey is LJURPJZOPVZKTQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6O4.Li/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+1/p-1.
What are the key properties of lithium 2-carboxybenzoate?
lithium 2-carboxybenzoate has a molecular weight of 172.06 g/mol, XLogP of -3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-carboxybenzoate is sourced from PubChem (CID 67386197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).