7,7-dihydroxy-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene

C7H8BO3- — CID 122177116

IUPAC7,7-dihydroxy-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene
SMILESO[B-]1(O)OCc2ccccc21
InChIInChI=1S/C7H8BO3/c9-8(10)7-4-2-1-3-6(7)5-11-8/h1-4,9-10H,5H2/q-1
InChIKeyLFYLOXDIRWAWMG-UHFFFAOYSA-N
MW150.95 g/mol
LogP-0.65
Rot. Bonds

About 7,7-dihydroxy-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene

7,7-dihydroxy-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene (PubChem CID 122177116) has the molecular formula C7H8BO3- and a molecular weight of 150.95 g/mol. Its IUPAC name is 7,7-dihydroxy-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene.

Molecular Properties

Compound Name7,7-dihydroxy-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene
PubChem CID122177116
Molecular FormulaC7H8BO3-
Molecular Weight150.95 g/mol
Exact Mass151.06
IUPAC Name7,7-dihydroxy-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene
SMILESO[B-]1(O)OCc2ccccc21
InChIInChI=1S/C7H8BO3/c9-8(10)7-4-2-1-3-6(7)5-11-8/h1-4,9-10H,5H2/q-1
InChIKeyLFYLOXDIRWAWMG-UHFFFAOYSA-N
XLogP-0.65
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.95
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
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 7,7-dihydroxy-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene?
The IUPAC name of 7,7-dihydroxy-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene (CID 122177116) is 7,7-dihydroxy-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene.
What is the SMILES notation for 7,7-dihydroxy-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene?
The canonical SMILES for 7,7-dihydroxy-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene is O[B-]1(O)OCc2ccccc21.
What is the InChIKey of 7,7-dihydroxy-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene?
The InChIKey is LFYLOXDIRWAWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BO3/c9-8(10)7-4-2-1-3-6(7)5-11-8/h1-4,9-10H,5H2/q-1.
What are the key properties of 7,7-dihydroxy-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene?
7,7-dihydroxy-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene has a molecular weight of 150.95 g/mol, XLogP of -0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dihydroxy-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene is sourced from PubChem (CID 122177116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).