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206-92-8 | Pleiadene
CAS No: 206-92-8 Catalog No: AG002AH1 MDL No:
Product Description
Catalog Number:
AG002AH1
Chemical Name:
Pleiadene
CAS Number:
206-92-8
Molecular Formula:
C18H12
Molecular Weight:
228.2879
IUPAC Name:
pleiadene
InChI:
InChI=1S/C18H12/c1-2-6-15-12-17-10-4-8-13-7-3-9-16(18(13)17)11-14(15)5-1/h1-12H
InChI Key:
DIJNSQQKNIVDPV-UHFFFAOYSA-N
SMILES:
c1ccc2=Cc3c4c(C=c2c1)cccc4ccc3
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.294g/mol
Monoisotopic Mass:
228.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Diversity-oriented approach to biologically relevant molecular frameworks starting with beta-naphthol and using the Claisen rearrangement and olefin metathesis as key steps. | Chemistry (Weinheim an der Bergstrasse, Germany) 20061025 |
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