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Home > Other Heterocycles > 34650-65-2
34650-65-2 | Bicyclo[4.1.0]hept-3-en-2-one
CAS No: 34650-65-2 Catalog No: AG007D5R MDL No:
Product Description
Catalog Number:
AG007D5R
Chemical Name:
Bicyclo[4.1.0]hept-3-en-2-one
CAS Number:
34650-65-2
Molecular Formula:
C7H8O
Molecular Weight:
108.1378
IUPAC Name:
bicyclo[4.1.0]hept-3-en-2-one
InChI:
InChI=1S/C7H8O/c8-7-3-1-2-5-4-6(5)7/h1,3,5-6H,2,4H2
InChI Key:
MEMQWLUDROWPHZ-UHFFFAOYSA-N
SMILES:
O=C1C=CCC2C1C2
Properties
Complexity:
158
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:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Products from enzyme-catalyzed oxidations of norcarenes. | The Journal of organic chemistry 20070216 |
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