propanedioic acid;tungsten

C3H4O4W2 — CID 22081019

IUPACpropanedioic acid;tungsten
SMILESO=C(O)CC(=O)O.[W].[W]
InChIInChI=1S/C3H4O4.2W/c4-2(5)1-3(6)7;;/h1H2,(H,4,5)(H,6,7);;
InChIKeyAHVSZYVCYHRCDA-UHFFFAOYSA-N
MW471.74 g/mol
LogP-0.46
Rot. Bonds2

About propanedioic acid;tungsten

propanedioic acid;tungsten (PubChem CID 22081019) has the molecular formula C3H4O4W2 and a molecular weight of 471.74 g/mol. Its IUPAC name is propanedioic acid;tungsten.

Molecular Properties

Compound Namepropanedioic acid;tungsten
PubChem CID22081019
Molecular FormulaC3H4O4W2
Molecular Weight471.74 g/mol
Exact Mass471.91
IUPAC Namepropanedioic acid;tungsten
SMILESO=C(O)CC(=O)O.[W].[W]
InChIInChI=1S/C3H4O4.2W/c4-2(5)1-3(6)7;;/h1H2,(H,4,5)(H,6,7);;
InChIKeyAHVSZYVCYHRCDA-UHFFFAOYSA-N
XLogP-0.46
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.74
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propanedioic acid;tungsten?
The IUPAC name of propanedioic acid;tungsten (CID 22081019) is propanedioic acid;tungsten.
What is the SMILES notation for propanedioic acid;tungsten?
The canonical SMILES for propanedioic acid;tungsten is O=C(O)CC(=O)O.[W].[W].
What is the InChIKey of propanedioic acid;tungsten?
The InChIKey is AHVSZYVCYHRCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O4.2W/c4-2(5)1-3(6)7;;/h1H2,(H,4,5)(H,6,7);;.
What are the key properties of propanedioic acid;tungsten?
propanedioic acid;tungsten has a molecular weight of 471.74 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanedioic acid;tungsten is sourced from PubChem (CID 22081019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).