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Home > Other Heterocycles > 103960-22-1
103960-22-1 | 2,5-Dioxabicyclo[4.2.0]octan-7-one, 1-methyl-, cis-
CAS No: 103960-22-1 Catalog No: AG007FBQ MDL No:
Product Description
Catalog Number:
AG007FBQ
Chemical Name:
2,5-Dioxabicyclo[4.2.0]octan-7-one, 1-methyl-, cis-
CAS Number:
103960-22-1
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
IUPAC Name:
1-methyl-2,5-dioxabicyclo[4.2.0]octan-7-one
InChI:
InChI=1S/C7H10O3/c1-7-4-5(8)6(7)9-2-3-10-7/h6H,2-4H2,1H3
InChI Key:
MTJVNBWNONAAQC-UHFFFAOYSA-N
SMILES:
O=C1C[C@@]2([C@H]1OCCO2)C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.154g/mol
Monoisotopic Mass:
142.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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