hydroxymethanone;phenylboronic acid;tungsten(2+)

C7H7BO4W — CID 155769533

IUPAChydroxymethanone;phenylboronic acid;tungsten(2+)
SMILESO=[C-]O.OB(O)c1[c-]cccc1.[W+2]
InChIInChI=1S/C6H6BO2.CHO2.W/c8-7(9)6-4-2-1-3-5-6;2-1-3;/h1-4,8-9H;(H,2,3);/q2*-1;+2
InChIKeyUIJSJIFQTXJRNV-UHFFFAOYSA-N
MW349.78 g/mol
LogP-1.22
Rot. Bonds1

About hydroxymethanone;phenylboronic acid;tungsten(2+)

hydroxymethanone;phenylboronic acid;tungsten(2+) (PubChem CID 155769533) has the molecular formula C7H7BO4W and a molecular weight of 349.78 g/mol. Its IUPAC name is hydroxymethanone;phenylboronic acid;tungsten(2+).

Molecular Properties

Compound Namehydroxymethanone;phenylboronic acid;tungsten(2+)
PubChem CID155769533
Molecular FormulaC7H7BO4W
Molecular Weight349.78 g/mol
Exact Mass349.99
IUPAC Namehydroxymethanone;phenylboronic acid;tungsten(2+)
SMILESO=[C-]O.OB(O)c1[c-]cccc1.[W+2]
InChIInChI=1S/C6H6BO2.CHO2.W/c8-7(9)6-4-2-1-3-5-6;2-1-3;/h1-4,8-9H;(H,2,3);/q2*-1;+2
InChIKeyUIJSJIFQTXJRNV-UHFFFAOYSA-N
XLogP-1.22
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of hydroxymethanone;phenylboronic acid;tungsten(2+)?
The IUPAC name of hydroxymethanone;phenylboronic acid;tungsten(2+) (CID 155769533) is hydroxymethanone;phenylboronic acid;tungsten(2+).
What is the SMILES notation for hydroxymethanone;phenylboronic acid;tungsten(2+)?
The canonical SMILES for hydroxymethanone;phenylboronic acid;tungsten(2+) is O=[C-]O.OB(O)c1[c-]cccc1.[W+2].
What is the InChIKey of hydroxymethanone;phenylboronic acid;tungsten(2+)?
The InChIKey is UIJSJIFQTXJRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BO2.CHO2.W/c8-7(9)6-4-2-1-3-5-6;2-1-3;/h1-4,8-9H;(H,2,3);/q2*-1;+2.
What are the key properties of hydroxymethanone;phenylboronic acid;tungsten(2+)?
hydroxymethanone;phenylboronic acid;tungsten(2+) has a molecular weight of 349.78 g/mol, XLogP of -1.22, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethanone;phenylboronic acid;tungsten(2+) is sourced from PubChem (CID 155769533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).