CID 158561341

C6H9B2O5 — CID 158561341

IUPAC—
SMILESOB(O)c1ccc(O)cc1.O[B]O
InChIInChI=1S/C6H7BO3.BH2O2/c8-6-3-1-5(2-4-6)7(9)10;2-1-3/h1-4,8-10H;2-3H
InChIKeyUVQNPLFHNQZPJZ-UHFFFAOYSA-N
MW182.76 g/mol
LogP-2.42
Rot. Bonds1

About CID 158561341

CID 158561341 (PubChem CID 158561341) has the molecular formula C6H9B2O5 and a molecular weight of 182.76 g/mol.

Molecular Properties

Compound NameCID 158561341
PubChem CID158561341
Molecular FormulaC6H9B2O5
Molecular Weight182.76 g/mol
Exact Mass183.06
IUPAC Name—
SMILESOB(O)c1ccc(O)cc1.O[B]O
InChIInChI=1S/C6H7BO3.BH2O2/c8-6-3-1-5(2-4-6)7(9)10;2-1-3/h1-4,8-10H;2-3H
InChIKeyUVQNPLFHNQZPJZ-UHFFFAOYSA-N
XLogP-2.42
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.76
LogP ≤ 5-2.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 158561341?
The IUPAC name of CID 158561341 (CID 158561341) is not available.
What is the SMILES notation for CID 158561341?
The canonical SMILES for CID 158561341 is OB(O)c1ccc(O)cc1.O[B]O.
What is the InChIKey of CID 158561341?
The InChIKey is UVQNPLFHNQZPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BO3.BH2O2/c8-6-3-1-5(2-4-6)7(9)10;2-1-3/h1-4,8-10H;2-3H.
What are the key properties of CID 158561341?
CID 158561341 has a molecular weight of 182.76 g/mol, XLogP of -2.42, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158561341 is sourced from PubChem (CID 158561341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).