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Home > Other Heterocycles > 68781-88-4
68781-88-4 | 6-Oxabicyclo[3.1.0]hex-3-en-2-one
CAS No: 68781-88-4 Catalog No: AG0061B6 MDL No:
Product Description
Catalog Number:
AG0061B6
Chemical Name:
6-Oxabicyclo[3.1.0]hex-3-en-2-one
CAS Number:
68781-88-4
Molecular Formula:
C5H4O2
Molecular Weight:
96.0841
IUPAC Name:
6-oxabicyclo[3.1.0]hex-3-en-2-one
InChI:
InChI=1S/C5H4O2/c6-3-1-2-4-5(3)7-4/h1-2,4-5H
InChI Key:
XBJAJFCHSYNWOJ-UHFFFAOYSA-N
SMILES:
O=C1C=CC2C1O2
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.021g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.085g/mol
Monoisotopic Mass:
96.021g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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