potassium;(3-ethenylphenyl)boronic acid;hydride

C8H10BKO2 — CID 175521054

IUPACpotassium;(3-ethenylphenyl)boronic acid;hydride
SMILESC=Cc1cccc(B(O)O)c1.[H-].[K+]
InChIInChI=1S/C8H9BO2.K.H/c1-2-7-4-3-5-8(6-7)9(10)11;;/h2-6,10-11H,1H2;;/q;+1;-1
InChIKeyZMCAXGGYGMRRSO-UHFFFAOYSA-N
MW188.08 g/mol
LogP-2.87
Rot. Bonds2

About potassium;(3-ethenylphenyl)boronic acid;hydride

potassium;(3-ethenylphenyl)boronic acid;hydride (PubChem CID 175521054) has the molecular formula C8H10BKO2 and a molecular weight of 188.08 g/mol. Its IUPAC name is potassium;(3-ethenylphenyl)boronic acid;hydride.

Molecular Properties

Compound Namepotassium;(3-ethenylphenyl)boronic acid;hydride
PubChem CID175521054
Molecular FormulaC8H10BKO2
Molecular Weight188.08 g/mol
Exact Mass188.04
IUPAC Namepotassium;(3-ethenylphenyl)boronic acid;hydride
SMILESC=Cc1cccc(B(O)O)c1.[H-].[K+]
InChIInChI=1S/C8H9BO2.K.H/c1-2-7-4-3-5-8(6-7)9(10)11;;/h2-6,10-11H,1H2;;/q;+1;-1
InChIKeyZMCAXGGYGMRRSO-UHFFFAOYSA-N
XLogP-2.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.08
LogP ≤ 5-2.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;(3-ethenylphenyl)boronic acid;hydride?
The IUPAC name of potassium;(3-ethenylphenyl)boronic acid;hydride (CID 175521054) is potassium;(3-ethenylphenyl)boronic acid;hydride.
What is the SMILES notation for potassium;(3-ethenylphenyl)boronic acid;hydride?
The canonical SMILES for potassium;(3-ethenylphenyl)boronic acid;hydride is C=Cc1cccc(B(O)O)c1.[H-].[K+].
What is the InChIKey of potassium;(3-ethenylphenyl)boronic acid;hydride?
The InChIKey is ZMCAXGGYGMRRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BO2.K.H/c1-2-7-4-3-5-8(6-7)9(10)11;;/h2-6,10-11H,1H2;;/q;+1;-1.
What are the key properties of potassium;(3-ethenylphenyl)boronic acid;hydride?
potassium;(3-ethenylphenyl)boronic acid;hydride has a molecular weight of 188.08 g/mol, XLogP of -2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(3-ethenylphenyl)boronic acid;hydride is sourced from PubChem (CID 175521054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).