2-hydroxybenzene-5-ide-1-carboxylic acid;phenol;tungsten(2+)

C13H10O4W — CID 54711905

IUPAC2-hydroxybenzene-5-ide-1-carboxylic acid;phenol;tungsten(2+)
SMILESO=C(O)c1c[c-]ccc1O.Oc1cc[c-]cc1.[W+2]
InChIInChI=1S/C7H5O3.C6H5O.W/c8-6-4-2-1-3-5(6)7(9)10;7-6-4-2-1-3-5-6;/h2-4,8H,(H,9,10);2-5,7H;/q2*-1;+2
InChIKeyCTKRJOPNPVAKGP-UHFFFAOYSA-N
MW414.06 g/mol
LogP2.08
Rot. Bonds1

About 2-hydroxybenzene-5-ide-1-carboxylic acid;phenol;tungsten(2+)

2-hydroxybenzene-5-ide-1-carboxylic acid;phenol;tungsten(2+) (PubChem CID 54711905) has the molecular formula C13H10O4W and a molecular weight of 414.06 g/mol. Its IUPAC name is 2-hydroxybenzene-5-ide-1-carboxylic acid;phenol;tungsten(2+).

Molecular Properties

Compound Name2-hydroxybenzene-5-ide-1-carboxylic acid;phenol;tungsten(2+)
PubChem CID54711905
Molecular FormulaC13H10O4W
Molecular Weight414.06 g/mol
Exact Mass414.01
IUPAC Name2-hydroxybenzene-5-ide-1-carboxylic acid;phenol;tungsten(2+)
SMILESO=C(O)c1c[c-]ccc1O.Oc1cc[c-]cc1.[W+2]
InChIInChI=1S/C7H5O3.C6H5O.W/c8-6-4-2-1-3-5(6)7(9)10;7-6-4-2-1-3-5-6;/h2-4,8H,(H,9,10);2-5,7H;/q2*-1;+2
InChIKeyCTKRJOPNPVAKGP-UHFFFAOYSA-N
XLogP2.08
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.06
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 20697161

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzene-5-ide-1-carboxylic acid;phenol;tungsten(2+)?
The IUPAC name of 2-hydroxybenzene-5-ide-1-carboxylic acid;phenol;tungsten(2+) (CID 54711905) is 2-hydroxybenzene-5-ide-1-carboxylic acid;phenol;tungsten(2+).
What is the SMILES notation for 2-hydroxybenzene-5-ide-1-carboxylic acid;phenol;tungsten(2+)?
The canonical SMILES for 2-hydroxybenzene-5-ide-1-carboxylic acid;phenol;tungsten(2+) is O=C(O)c1c[c-]ccc1O.Oc1cc[c-]cc1.[W+2].
What is the InChIKey of 2-hydroxybenzene-5-ide-1-carboxylic acid;phenol;tungsten(2+)?
The InChIKey is CTKRJOPNPVAKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5O3.C6H5O.W/c8-6-4-2-1-3-5(6)7(9)10;7-6-4-2-1-3-5-6;/h2-4,8H,(H,9,10);2-5,7H;/q2*-1;+2.
What are the key properties of 2-hydroxybenzene-5-ide-1-carboxylic acid;phenol;tungsten(2+)?
2-hydroxybenzene-5-ide-1-carboxylic acid;phenol;tungsten(2+) has a molecular weight of 414.06 g/mol, XLogP of 2.08, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzene-5-ide-1-carboxylic acid;phenol;tungsten(2+) is sourced from PubChem (CID 54711905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).