CID 58172667

C5H4BO4 — CID 58172667

IUPAC—
SMILESO=Cc1ccc(O[B]O)o1
InChIInChI=1S/C5H4BO4/c7-3-4-1-2-5(9-4)10-6-8/h1-3,8H
InChIKeyMYWXMWJKJCTWKX-UHFFFAOYSA-N
MW138.89 g/mol
LogP-0.00
Rot. Bonds3

About CID 58172667

CID 58172667 (PubChem CID 58172667) has the molecular formula C5H4BO4 and a molecular weight of 138.89 g/mol.

Molecular Properties

Compound NameCID 58172667
PubChem CID58172667
Molecular FormulaC5H4BO4
Molecular Weight138.89 g/mol
Exact Mass139.02
IUPAC Name—
SMILESO=Cc1ccc(O[B]O)o1
InChIInChI=1S/C5H4BO4/c7-3-4-1-2-5(9-4)10-6-8/h1-3,8H
InChIKeyMYWXMWJKJCTWKX-UHFFFAOYSA-N
XLogP-0.00
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.89
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 58172667 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 58172667?
The IUPAC name of CID 58172667 (CID 58172667) is not available.
What is the SMILES notation for CID 58172667?
The canonical SMILES for CID 58172667 is O=Cc1ccc(O[B]O)o1.
What is the InChIKey of CID 58172667?
The InChIKey is MYWXMWJKJCTWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BO4/c7-3-4-1-2-5(9-4)10-6-8/h1-3,8H.
What are the key properties of CID 58172667?
CID 58172667 has a molecular weight of 138.89 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58172667 is sourced from PubChem (CID 58172667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).