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14134-06-6 molecular structure
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9-ethenylphenanthrene

ChemBase ID: 179522
Molecular Formular: C16H12
Molecular Mass: 204.26648
Monoisotopic Mass: 204.09390038
SMILES and InChIs

SMILES:
c1ccc2c(c1)cc(c1c2cccc1)C=C
Canonical SMILES:
C=Cc1cc2ccccc2c2c1cccc2
InChI:
InChI=1S/C16H12/c1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16/h2-11H,1H2
InChIKey:
KTPLMACSFXCPHL-UHFFFAOYSA-N

Cite this record

CBID:179522 http://www.chembase.cn/molecule-179522.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9-ethenylphenanthrene
IUPAC Traditional name
9-ethenylphenanthrene
Synonyms
9-Ethenylphenanthrene
9-Vinylphenanthrene
CAS Number
14134-06-6
PubChem SID
164235432
PubChem CID
1266031

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC V453000 external link Add to cart
PubChem 1266031 external link
Data Source Data ID Price
TRC
V453000 external link Add to cart Please log in.
Data Source Data ID
PubChem 1266031 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.6889014  LogD (pH = 7.4) 4.6889014 
Log P 4.6889014  Molar Refractivity 68.6447 cm3
Polarizability 29.317314 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Apperance
White Solid expand Show data source
Melting Point
38-40°C dec. expand Show data source
Storage Condition
Amber Vial, -20°C Freezer, Under Inert Atmosphere expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - V453000 external link
A vinyl derivative from polynuclear aromatic hydrocarbons.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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