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1202245-65-5 molecular structure
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4-ethynyloxane

ChemBase ID: 63486
Molecular Formular: C7H10O
Molecular Mass: 110.1537
Monoisotopic Mass: 110.07316494
SMILES and InChIs

SMILES:
C(#C)C1CCOCC1
Canonical SMILES:
C#CC1CCOCC1
InChI:
InChI=1S/C7H10O/c1-2-7-3-5-8-6-4-7/h1,7H,3-6H2
InChIKey:
BMYOVGRZKOKXMG-UHFFFAOYSA-N

Cite this record

CBID:63486 http://www.chembase.cn/molecule-63486.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-ethynyloxane
IUPAC Traditional name
4-ethynyloxane
Synonyms
4-Ethynyltetrahydro-2H-pyran
CAS Number
1202245-65-5
MDL Number
MFCD17016081
PubChem SID
162029225
PubChem CID
57213264

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 57213264 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.89934856  LogD (pH = 7.4) 0.89934856 
Log P 0.89934856  Molar Refractivity 32.7657 cm3
Polarizability 12.487106 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
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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