2-ethylbenzoic acid;tungsten

C9H10O2W — CID 23518478

IUPAC2-ethylbenzoic acid;tungsten
SMILESCCc1ccccc1C(=O)O.[W]
InChIInChI=1S/C9H10O2.W/c1-2-7-5-3-4-6-8(7)9(10)11;/h3-6H,2H2,1H3,(H,10,11);
InChIKeyHFYXXOZJITVTKO-UHFFFAOYSA-N
MW334.02 g/mol
LogP1.94
Rot. Bonds2

About 2-ethylbenzoic acid;tungsten

2-ethylbenzoic acid;tungsten (PubChem CID 23518478) has the molecular formula C9H10O2W and a molecular weight of 334.02 g/mol. Its IUPAC name is 2-ethylbenzoic acid;tungsten.

Molecular Properties

Compound Name2-ethylbenzoic acid;tungsten
PubChem CID23518478
Molecular FormulaC9H10O2W
Molecular Weight334.02 g/mol
Exact Mass334.02
IUPAC Name2-ethylbenzoic acid;tungsten
SMILESCCc1ccccc1C(=O)O.[W]
InChIInChI=1S/C9H10O2.W/c1-2-7-5-3-4-6-8(7)9(10)11;/h3-6H,2H2,1H3,(H,10,11);
InChIKeyHFYXXOZJITVTKO-UHFFFAOYSA-N
XLogP1.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.02
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-ethylbenzoic acid;tungsten?
The IUPAC name of 2-ethylbenzoic acid;tungsten (CID 23518478) is 2-ethylbenzoic acid;tungsten.
What is the SMILES notation for 2-ethylbenzoic acid;tungsten?
The canonical SMILES for 2-ethylbenzoic acid;tungsten is CCc1ccccc1C(=O)O.[W].
What is the InChIKey of 2-ethylbenzoic acid;tungsten?
The InChIKey is HFYXXOZJITVTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.W/c1-2-7-5-3-4-6-8(7)9(10)11;/h3-6H,2H2,1H3,(H,10,11);.
What are the key properties of 2-ethylbenzoic acid;tungsten?
2-ethylbenzoic acid;tungsten has a molecular weight of 334.02 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbenzoic acid;tungsten is sourced from PubChem (CID 23518478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).