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3267-78-5 molecular structure
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tripropylstannylium acetate

ChemBase ID: 303435
Molecular Formular: C11H24O2Sn
Molecular Mass: 307.00806
Monoisotopic Mass: 308.07982401
SMILES and InChIs

SMILES:
CCC[Sn+](CCC)CCC.CC(=O)[O-]
Canonical SMILES:
[O-]C(=O)C.CCC[Sn+](CCC)CCC
InChI:
InChI=1S/3C3H7.C2H4O2.Sn/c3*1-3-2;1-2(3)4;/h3*1,3H2,2H3;1H3,(H,3,4);/q;;;;+1/p-1
InChIKey:
LSBFRYCHYLHPSU-UHFFFAOYSA-M

Cite this record

CBID:303435 http://www.chembase.cn/molecule-303435.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tripropylstannylium acetate
IUPAC Traditional name
tripropylstannylium acetate
Synonyms
Tri-n-propyltin acetate
三正丙基锡乙酸盐
CAS Number
3267-78-5
EC Number
221-879-9
MDL Number
MFCD00053779

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar 39599 external link Add to cart
Data Source Data ID Price
Alfa Aesar
39599 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3398  LogD (pH = 7.4) 2.3398 
Log P 2.3398  Molar Refractivity 44.6127 cm3
Polarizability 22.333143 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Apperance
Powder expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
UN3146 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
23/24/25-50/53 expand Show data source
Safety Statements
26-27/28-45-60-61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS09 expand Show data source
GHS Hazard statements
H301-H311-H331-H400-H410 expand Show data source
GHS Precautionary statements
P261-P301+P310-P361-P302+P352-P405-P501A expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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