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Home > Other Heterocycles > 4729-06-0
4729-06-0 | 2-Oxabicyclo[3.2.1]octa-3,6-diene
CAS No: 4729-06-0 Catalog No: AG0071JF MDL No:
Product Description
Catalog Number:
AG0071JF
Chemical Name:
2-Oxabicyclo[3.2.1]octa-3,6-diene
CAS Number:
4729-06-0
Molecular Formula:
C7H8O
Molecular Weight:
108.1378
IUPAC Name:
2-oxabicyclo[3.2.1]octa-3,6-diene
InChI:
InChI=1S/C7H8O/c1-2-7-5-6(1)3-4-8-7/h1-4,6-7H,5H2
InChI Key:
JPFHUVOCZRXQMU-UHFFFAOYSA-N
SMILES:
C1=CC2CC(O1)C=C2
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.058g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.14g/mol
Monoisotopic Mass:
108.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| New chiral building blocks from tetrabromocyclopropene and furan. | The Journal of organic chemistry 20041001 |
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