CID 87361004

C2H4BO2 — CID 87361004

IUPAC—
SMILESC=CO[B]O
InChIInChI=1S/C2H4BO2/c1-2-5-3-4/h2,4H,1H2
InChIKeyUXEQLPFHXUZALU-UHFFFAOYSA-N
MW70.86 g/mol
LogP-0.33
Rot. Bonds2

About CID 87361004

CID 87361004 (PubChem CID 87361004) has the molecular formula C2H4BO2 and a molecular weight of 70.86 g/mol.

Molecular Properties

Compound NameCID 87361004
PubChem CID87361004
Molecular FormulaC2H4BO2
Molecular Weight70.86 g/mol
Exact Mass71.03
IUPAC Name—
SMILESC=CO[B]O
InChIInChI=1S/C2H4BO2/c1-2-5-3-4/h2,4H,1H2
InChIKeyUXEQLPFHXUZALU-UHFFFAOYSA-N
XLogP-0.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.86
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 87361004?
The IUPAC name of CID 87361004 (CID 87361004) is not available.
What is the SMILES notation for CID 87361004?
The canonical SMILES for CID 87361004 is C=CO[B]O.
What is the InChIKey of CID 87361004?
The InChIKey is UXEQLPFHXUZALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4BO2/c1-2-5-3-4/h2,4H,1H2.
What are the key properties of CID 87361004?
CID 87361004 has a molecular weight of 70.86 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87361004 is sourced from PubChem (CID 87361004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).