CID 159904044

C12H12O2Sn — CID 159904044

IUPAC—
SMILESOc1ccccc1.Oc1ccccc1.[Sn]
InChIInChI=1S/2C6H6O.Sn/c2*7-6-4-2-1-3-5-6;/h2*1-5,7H;
InChIKeyNWIHPFFFGVMLMP-UHFFFAOYSA-N
MW306.94 g/mol
LogP2.40
Rot. Bonds

About CID 159904044

CID 159904044 (PubChem CID 159904044) has the molecular formula C12H12O2Sn and a molecular weight of 306.94 g/mol.

Molecular Properties

Compound NameCID 159904044
PubChem CID159904044
Molecular FormulaC12H12O2Sn
Molecular Weight306.94 g/mol
Exact Mass307.99
IUPAC Name—
SMILESOc1ccccc1.Oc1ccccc1.[Sn]
InChIInChI=1S/2C6H6O.Sn/c2*7-6-4-2-1-3-5-6;/h2*1-5,7H;
InChIKeyNWIHPFFFGVMLMP-UHFFFAOYSA-N
XLogP2.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.94
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 159904044?
The IUPAC name of CID 159904044 (CID 159904044) is not available.
What is the SMILES notation for CID 159904044?
The canonical SMILES for CID 159904044 is Oc1ccccc1.Oc1ccccc1.[Sn].
What is the InChIKey of CID 159904044?
The InChIKey is NWIHPFFFGVMLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6O.Sn/c2*7-6-4-2-1-3-5-6;/h2*1-5,7H;.
What are the key properties of CID 159904044?
CID 159904044 has a molecular weight of 306.94 g/mol, XLogP of 2.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159904044 is sourced from PubChem (CID 159904044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).