3-carboxybenzenesulfinate;tungsten

C7H5O4SW- — CID 58105249

IUPAC3-carboxybenzenesulfinate;tungsten
SMILESO=C(O)c1cccc(S(=O)[O-])c1.[W]
InChIInChI=1S/C7H6O4S.W/c8-7(9)5-2-1-3-6(4-5)12(10)11;/h1-4H,(H,8,9)(H,10,11);/p-1
InChIKeyFFVFOLXEDQJWSO-UHFFFAOYSA-M
MW369.02 g/mol
LogP0.62
Rot. Bonds2

About 3-carboxybenzenesulfinate;tungsten

3-carboxybenzenesulfinate;tungsten (PubChem CID 58105249) has the molecular formula C7H5O4SW- and a molecular weight of 369.02 g/mol. Its IUPAC name is 3-carboxybenzenesulfinate;tungsten.

Molecular Properties

Compound Name3-carboxybenzenesulfinate;tungsten
PubChem CID58105249
Molecular FormulaC7H5O4SW-
Molecular Weight369.02 g/mol
Exact Mass368.94
IUPAC Name3-carboxybenzenesulfinate;tungsten
SMILESO=C(O)c1cccc(S(=O)[O-])c1.[W]
InChIInChI=1S/C7H6O4S.W/c8-7(9)5-2-1-3-6(4-5)12(10)11;/h1-4H,(H,8,9)(H,10,11);/p-1
InChIKeyFFVFOLXEDQJWSO-UHFFFAOYSA-M
XLogP0.62
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.02
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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benzene-1,3-dicarboxylic acid;phosphane
CID 87088729
benzoic acid;sulfurous acid
CID 67918797
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Frequently Asked Questions

What is the IUPAC name of 3-carboxybenzenesulfinate;tungsten?
The IUPAC name of 3-carboxybenzenesulfinate;tungsten (CID 58105249) is 3-carboxybenzenesulfinate;tungsten.
What is the SMILES notation for 3-carboxybenzenesulfinate;tungsten?
The canonical SMILES for 3-carboxybenzenesulfinate;tungsten is O=C(O)c1cccc(S(=O)[O-])c1.[W].
What is the InChIKey of 3-carboxybenzenesulfinate;tungsten?
The InChIKey is FFVFOLXEDQJWSO-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O4S.W/c8-7(9)5-2-1-3-6(4-5)12(10)11;/h1-4H,(H,8,9)(H,10,11);/p-1.
What are the key properties of 3-carboxybenzenesulfinate;tungsten?
3-carboxybenzenesulfinate;tungsten has a molecular weight of 369.02 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carboxybenzenesulfinate;tungsten is sourced from PubChem (CID 58105249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).