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14134-06-6 | Phenanthrene, 9-ethenyl-
CAS No: 14134-06-6 Catalog No: AG001G9E MDL No:
Product Description
Catalog Number:
AG001G9E
Chemical Name:
Phenanthrene, 9-ethenyl-
CAS Number:
14134-06-6
Molecular Formula:
C16H12
Molecular Weight:
204.2665
IUPAC Name:
9-ethenylphenanthrene
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
InChI Key:
KTPLMACSFXCPHL-UHFFFAOYSA-N
SMILES:
C=Cc1cc2ccccc2c2c1cccc2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.272g/mol
Monoisotopic Mass:
204.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Literature
| Title | Journal |
|---|---|
| Role of conformation in π-π interactions and polymer/fullerene miscibility. | The journal of physical chemistry. B 20110728 |
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