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13331-52-7 molecular structure
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tributylstannyl prop-2-enoate

ChemBase ID: 111462
Molecular Formular: C15H30O2Sn
Molecular Mass: 361.0985
Monoisotopic Mass: 362.1267742
SMILES and InChIs

SMILES:
CCCC[Sn](CCCC)(CCCC)OC(=O)C=C
Canonical SMILES:
CCCC[Sn](OC(=O)C=C)(CCCC)CCCC
InChI:
InChI=1S/3C4H9.C3H4O2.Sn/c3*1-3-4-2;1-2-3(4)5;/h3*1,3-4H2,2H3;2H,1H2,(H,4,5);/q;;;;+1/p-1
InChIKey:
YSUXTNDMKYYZPR-UHFFFAOYSA-M

Cite this record

CBID:111462 http://www.chembase.cn/molecule-111462.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tributylstannyl prop-2-enoate
IUPAC Traditional name
tributylstannyl prop-2-enoate
Synonyms
TRIBUTYL TIN ACRYLATE
CAS Number
13331-52-7
PubChem SID
162096869
PubChem CID
16683072

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05219298 external link Add to cart Please log in.
Data Source Data ID
PubChem 16683072 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.2907  LogD (pH = 7.4) 5.2907 
Log P 5.2907  Molar Refractivity 75.2415 cm3
Polarizability 34.264236 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 12  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05219298 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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