CID 175713586

C9H12O2Sn — CID 175713586

IUPAC—
SMILESCOc1ccc([C@@H](C)O)cc1.[Sn]
InChIInChI=1S/C9H12O2.Sn/c1-7(10)8-3-5-9(11-2)6-4-8;/h3-7,10H,1-2H3;/t7-;/m1./s1
InChIKeyCXGBRPIFCHNPMF-OGFXRTJISA-N
MW270.90 g/mol
LogP1.37
Rot. Bonds2

About CID 175713586

CID 175713586 (PubChem CID 175713586) has the molecular formula C9H12O2Sn and a molecular weight of 270.90 g/mol.

Molecular Properties

Compound NameCID 175713586
PubChem CID175713586
Molecular FormulaC9H12O2Sn
Molecular Weight270.90 g/mol
Exact Mass271.99
IUPAC Name—
SMILESCOc1ccc([C@@H](C)O)cc1.[Sn]
InChIInChI=1S/C9H12O2.Sn/c1-7(10)8-3-5-9(11-2)6-4-8;/h3-7,10H,1-2H3;/t7-;/m1./s1
InChIKeyCXGBRPIFCHNPMF-OGFXRTJISA-N
XLogP1.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.90
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 175713586?
The IUPAC name of CID 175713586 (CID 175713586) is not available.
What is the SMILES notation for CID 175713586?
The canonical SMILES for CID 175713586 is COc1ccc([C@@H](C)O)cc1.[Sn].
What is the InChIKey of CID 175713586?
The InChIKey is CXGBRPIFCHNPMF-OGFXRTJISA-N. The full InChI is InChI=1S/C9H12O2.Sn/c1-7(10)8-3-5-9(11-2)6-4-8;/h3-7,10H,1-2H3;/t7-;/m1./s1.
What are the key properties of CID 175713586?
CID 175713586 has a molecular weight of 270.90 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175713586 is sourced from PubChem (CID 175713586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).