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81122-95-4 molecular structure
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(5Z)-5-(hex-2-yn-1-ylidene)-2,5-dihydrofuran-2-one

ChemBase ID: 305894
Molecular Formular: C10H10O2
Molecular Mass: 162.1852
Monoisotopic Mass: 162.06807956
SMILES and InChIs

SMILES:
C(C#C/C=C/1\OC(=O)C=C1)CC
Canonical SMILES:
CCCC#C/C=C/1\OC(=O)C=C1
InChI:
InChI=1S/C10H10O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h6-8H,2-3H2,1H3/b9-6-
InChIKey:
PHUPYFCPQIPDNQ-TWGQIWQCSA-N

Cite this record

CBID:305894 http://www.chembase.cn/molecule-305894.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5Z)-5-(hex-2-yn-1-ylidene)-2,5-dihydrofuran-2-one
IUPAC Traditional name
(5Z)-5-(hex-2-yn-1-ylidene)furan-2-one
Synonyms
(Z)-Lachnophyllum lactone
CAS Number
81122-95-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP02535
Data Source Data ID Price
BioBioPha
BBP02535 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5064378  LogD (pH = 7.4) 2.5064378 
Log P 2.5064378  Molar Refractivity 49.449 cm3
Polarizability 17.602703 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Oil expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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