CID 87293224

C8H8BO3 — CID 87293224

IUPAC—
SMILESO=CCO[B]Oc1ccccc1
InChIInChI=1S/C8H8BO3/c10-6-7-11-9-12-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyXYZMHUPICYQGJH-UHFFFAOYSA-N
MW162.96 g/mol
LogP0.82
Rot. Bonds5

About CID 87293224

CID 87293224 (PubChem CID 87293224) has the molecular formula C8H8BO3 and a molecular weight of 162.96 g/mol.

Molecular Properties

Compound NameCID 87293224
PubChem CID87293224
Molecular FormulaC8H8BO3
Molecular Weight162.96 g/mol
Exact Mass163.06
IUPAC Name—
SMILESO=CCO[B]Oc1ccccc1
InChIInChI=1S/C8H8BO3/c10-6-7-11-9-12-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyXYZMHUPICYQGJH-UHFFFAOYSA-N
XLogP0.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.96
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87293224?
The IUPAC name of CID 87293224 (CID 87293224) is not available.
What is the SMILES notation for CID 87293224?
The canonical SMILES for CID 87293224 is O=CCO[B]Oc1ccccc1.
What is the InChIKey of CID 87293224?
The InChIKey is XYZMHUPICYQGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BO3/c10-6-7-11-9-12-8-4-2-1-3-5-8/h1-6H,7H2.
What are the key properties of CID 87293224?
CID 87293224 has a molecular weight of 162.96 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87293224 is sourced from PubChem (CID 87293224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).