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4433-13-0 molecular structure
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1-ethenyl-4-(4-ethenylphenyl)benzene

ChemBase ID: 65189
Molecular Formular: C16H14
Molecular Mass: 206.28236
Monoisotopic Mass: 206.10955045
SMILES and InChIs

SMILES:
c1c(ccc(c1)c1ccc(cc1)C=C)C=C
Canonical SMILES:
C=Cc1ccc(cc1)c1ccc(cc1)C=C
InChI:
InChI=1S/C16H14/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16/h3-12H,1-2H2
InChIKey:
IYSVFZBXZVPIFA-UHFFFAOYSA-N

Cite this record

CBID:65189 http://www.chembase.cn/molecule-65189.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-ethenyl-4-(4-ethenylphenyl)benzene
IUPAC Traditional name
1-ethenyl-4-(4-ethenylphenyl)benzene
Synonyms
4,4-Divinyl-p-biphenyl
CAS Number
4433-13-0
MDL Number
MFCD18325139
PubChem SID
162030928
PubChem CID
10987445

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 10987445 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.0938754  LogD (pH = 7.4) 5.0938754 
Log P 5.0938754  Molar Refractivity 70.5668 cm3
Polarizability 28.632772 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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