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121138-01-0 molecular structure
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3-iodooxolane

ChemBase ID: 63352
Molecular Formular: C4H7IO
Molecular Mass: 198.00225
Monoisotopic Mass: 197.95416284
SMILES and InChIs

SMILES:
C1COCC1I
Canonical SMILES:
IC1COCC1
InChI:
InChI=1S/C4H7IO/c5-4-1-2-6-3-4/h4H,1-3H2
InChIKey:
BKIQORJIKOPRCG-UHFFFAOYSA-N

Cite this record

CBID:63352 http://www.chembase.cn/molecule-63352.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-iodooxolane
IUPAC Traditional name
3-iodooxolane
Synonyms
3-Iodotetrahydrofuran
3-Iodo-tetrahydro-furan
CAS Number
121138-01-0
MDL Number
MFCD09878873
PubChem SID
162029091
PubChem CID
22139264

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 22139264 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1712824  LogD (pH = 7.4) 1.1712824 
Log P 1.1712824  Molar Refractivity 33.2808 cm3
Polarizability 13.297631 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
96% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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