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Home > Other Heterocycles > 89590-55-6
89590-55-6 | 3-Oxabicyclo[4.1.0]heptan-2-one, 1-(benzoyloxy)-4,4,7,7-tetramethyl-
CAS No: 89590-55-6 Catalog No: AG003XJY MDL No:
Product Description
Catalog Number:
AG003XJY
Chemical Name:
3-Oxabicyclo[4.1.0]heptan-2-one, 1-(benzoyloxy)-4,4,7,7-tetramethyl-
CAS Number:
89590-55-6
Molecular Formula:
C17H20O4
Molecular Weight:
288.3383
IUPAC Name:
(4,4,7,7-tetramethyl-2-oxo-3-oxabicyclo[4.1.0]heptan-1-yl) benzoate
InChI:
InChI=1S/C17H20O4/c1-15(2)10-12-16(3,4)17(12,14(19)21-15)20-13(18)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3
InChI Key:
QPDPKXIHBNXFFE-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)OC12C(=O)OC(CC1C2(C)C)(C)C
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.136g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.343g/mol
Monoisotopic Mass:
288.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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