BUTYL 3-(TRICHLOROSTANNYL)PROPIONATE

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Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID4069474

Structure

InChI Key KKIZJTLMVRCRAA-UHFFFAOYSA-K
Smiles O=C(OCCCC)CC[Sn](Cl)(Cl)Cl
InChI
InChI=1/C7H13O2.3ClH.Sn/c1-3-5-6-9-7(8)4-2;;;;/h2-6H2,1H3;3*1H;/q;;;;+3/p-3/rC7H13Cl3O2Sn/c1-2-3-5-12-7(11)4-6-13(8,9)10/h2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H13Cl3O2Sn
Molecular Weight 353.9
AlogP 3.38
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 26.3
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 61470-34-6
NORMAN SUSDAT
PubChem 109089
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