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19740-75-1

19740-75-1 | 9-Oxabicyclo[4.2.1]nona-2,4-diene

CAS No: 19740-75-1 Catalog No: AG002AT5 MDL No:

Product Description

Catalog Number:
AG002AT5
Chemical Name:
9-Oxabicyclo[4.2.1]nona-2,4-diene
CAS Number:
19740-75-1
Molecular Formula:
C8H10O
Molecular Weight:
122.1644
IUPAC Name:
9-oxabicyclo[4.2.1]nona-2,4-diene
InChI:
InChI=1S/C8H10O/c1-2-4-8-6-5-7(3-1)9-8/h1-4,7-8H,5-6H2
InChI Key:
UPTPBLCFJRDBQW-UHFFFAOYSA-N
SMILES:
C1=CC2CCC(C=C1)O2

Properties

Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.073g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.167g/mol
Monoisotopic Mass:
122.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Literature

Title Journal
Asymmetric total syntheses of (+)-mycoepoxydiene and related natural product (-)-1893A: application of one-pot ring-opening/cross/ring-closing metathesis to construct their 9-oxabicyclo[4.2.1]nona-2,4-diene skeleton. The Journal of organic chemistry 20041210

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