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276-31-3

276-31-3 | 3aH-Cyclopentacyclooctene

CAS No: 276-31-3 Catalog No: AG002U7E MDL No:

Product Description

Catalog Number:
AG002U7E
Chemical Name:
3aH-Cyclopentacyclooctene
CAS Number:
276-31-3
Molecular Formula:
C11H10
Molecular Weight:
142.1971
IUPAC Name:
9aH-cyclopenta[8]annulene
InChI:
InChI=1S/C11H10/c1-2-4-7-11-9-5-8-10(11)6-3-1/h1-10H
InChI Key:
VBZXSGRTVWPNKO-UHFFFAOYSA-N
SMILES:
C1=CC=CC2C(=CC=C2)C=C1

Properties

Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.078g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.201g/mol
Monoisotopic Mass:
142.078g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
3  
XLogP3:
3.3  

Literature

Title Journal
Synthetic studies on dicyclopenta[a,d]cyclooctane terpenoids: construction of the core structure of fusicoccins and ophiobolins on the route involving a Wagner-Meerwein rearrangement. The Journal of organic chemistry 20110916
Studies towards the total synthesis of di- and sesterterpenes with dicyclopenta[a,d]cyclooctane skeletons. Three-component approach to the A/B rings building block. Molecules (Basel, Switzerland) 20050930

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