CID 159486235

C6H7B2O4 — CID 159486235

IUPAC—
SMILESO[B]OB(O)c1ccc(O)cc1
InChIInChI=1S/C6H7B2O4/c9-6-3-1-5(2-4-6)8(11)12-7-10/h1-4,9-11H
InChIKeyMXSSIVHFYZLOLU-UHFFFAOYSA-N
MW164.74 g/mol
LogP-1.38
Rot. Bonds3

About CID 159486235

CID 159486235 (PubChem CID 159486235) has the molecular formula C6H7B2O4 and a molecular weight of 164.74 g/mol.

Molecular Properties

Compound NameCID 159486235
PubChem CID159486235
Molecular FormulaC6H7B2O4
Molecular Weight164.74 g/mol
Exact Mass165.05
IUPAC Name—
SMILESO[B]OB(O)c1ccc(O)cc1
InChIInChI=1S/C6H7B2O4/c9-6-3-1-5(2-4-6)8(11)12-7-10/h1-4,9-11H
InChIKeyMXSSIVHFYZLOLU-UHFFFAOYSA-N
XLogP-1.38
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.74
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 159486235?
The IUPAC name of CID 159486235 (CID 159486235) is not available.
What is the SMILES notation for CID 159486235?
The canonical SMILES for CID 159486235 is O[B]OB(O)c1ccc(O)cc1.
What is the InChIKey of CID 159486235?
The InChIKey is MXSSIVHFYZLOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7B2O4/c9-6-3-1-5(2-4-6)8(11)12-7-10/h1-4,9-11H.
What are the key properties of CID 159486235?
CID 159486235 has a molecular weight of 164.74 g/mol, XLogP of -1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159486235 is sourced from PubChem (CID 159486235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).