1,3,2-benzodioxastannole 2-oxide

C6H4O3Sn — CID 70356717

IUPAC1,3,2-benzodioxastannole 2-oxide
SMILESO=[Sn]1Oc2ccccc2O1
InChIInChI=1S/C6H6O2.O.Sn/c7-5-3-1-2-4-6(5)8;;/h1-4,7-8H;;/q;;+2/p-2
InChIKeyPPFRGKYVVQNAFF-UHFFFAOYSA-L
MW242.81 g/mol
LogP0.87
Rot. Bonds

About 1,3,2-benzodioxastannole 2-oxide

1,3,2-benzodioxastannole 2-oxide (PubChem CID 70356717) has the molecular formula C6H4O3Sn and a molecular weight of 242.81 g/mol. Its IUPAC name is 1,3,2-benzodioxastannole 2-oxide.

Molecular Properties

Compound Name1,3,2-benzodioxastannole 2-oxide
PubChem CID70356717
Molecular FormulaC6H4O3Sn
Molecular Weight242.81 g/mol
Exact Mass243.92
IUPAC Name1,3,2-benzodioxastannole 2-oxide
SMILESO=[Sn]1Oc2ccccc2O1
InChIInChI=1S/C6H6O2.O.Sn/c7-5-3-1-2-4-6(5)8;;/h1-4,7-8H;;/q;;+2/p-2
InChIKeyPPFRGKYVVQNAFF-UHFFFAOYSA-L
XLogP0.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.81
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,2-benzodioxastannole 2-oxide?
The IUPAC name of 1,3,2-benzodioxastannole 2-oxide (CID 70356717) is 1,3,2-benzodioxastannole 2-oxide.
What is the SMILES notation for 1,3,2-benzodioxastannole 2-oxide?
The canonical SMILES for 1,3,2-benzodioxastannole 2-oxide is O=[Sn]1Oc2ccccc2O1.
What is the InChIKey of 1,3,2-benzodioxastannole 2-oxide?
The InChIKey is PPFRGKYVVQNAFF-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H6O2.O.Sn/c7-5-3-1-2-4-6(5)8;;/h1-4,7-8H;;/q;;+2/p-2.
What are the key properties of 1,3,2-benzodioxastannole 2-oxide?
1,3,2-benzodioxastannole 2-oxide has a molecular weight of 242.81 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,2-benzodioxastannole 2-oxide is sourced from PubChem (CID 70356717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).