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Home > Other Heterocycles > 5617-74-3
5617-74-3 | 3-Oxabicyclo[3.1.0]hexane-2,4-dione
CAS No: 5617-74-3 Catalog No: AG003JUL MDL No:MFCD00126929
Product Description
Catalog Number:
AG003JUL
Chemical Name:
3-Oxabicyclo[3.1.0]hexane-2,4-dione
CAS Number:
5617-74-3
Molecular Formula:
C5H4O3
Molecular Weight:
112.0835
MDL Number:
MFCD00126929
IUPAC Name:
3-oxabicyclo[3.1.0]hexane-2,4-dione
InChI:
InChI=1S/C5H4O3/c6-4-2-1-3(2)5(7)8-4/h2-3H,1H2
InChI Key:
ZRMYHUFDVLRYPN-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2C1C2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.016g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.084g/mol
Monoisotopic Mass:
112.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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