CID 175606380

H2B4O4 — CID 175606380

IUPAC—
SMILESO.[B].[B]1O[B]O[B]O1
InChIInChI=1S/B3O3.B.H2O/c1-4-2-6-3-5-1;;/h;;1H2
InChIKeyBDTJHEXHLPOMKT-UHFFFAOYSA-N
MW109.26 g/mol
LogP-2.55
Rot. Bonds

About CID 175606380

CID 175606380 (PubChem CID 175606380) has the molecular formula H2B4O4 and a molecular weight of 109.26 g/mol.

Molecular Properties

Compound NameCID 175606380
PubChem CID175606380
Molecular FormulaH2B4O4
Molecular Weight109.26 g/mol
Exact Mass110.03
IUPAC Name—
SMILESO.[B].[B]1O[B]O[B]O1
InChIInChI=1S/B3O3.B.H2O/c1-4-2-6-3-5-1;;/h;;1H2
InChIKeyBDTJHEXHLPOMKT-UHFFFAOYSA-N
XLogP-2.55
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.26
LogP ≤ 5-2.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 CID 175606380?
The IUPAC name of CID 175606380 (CID 175606380) is not available.
What is the SMILES notation for CID 175606380?
The canonical SMILES for CID 175606380 is O.[B].[B]1O[B]O[B]O1.
What is the InChIKey of CID 175606380?
The InChIKey is BDTJHEXHLPOMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/B3O3.B.H2O/c1-4-2-6-3-5-1;;/h;;1H2.
What are the key properties of CID 175606380?
CID 175606380 has a molecular weight of 109.26 g/mol, XLogP of -2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175606380 is sourced from PubChem (CID 175606380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).