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Home > Other Heterocycles > 88046-62-2
88046-62-2 | Bicyclo[4.2.0]octan-2-one, 6-(acetyloxy)-4,4-dimethyl-7-(4-pentenyloxy)-
CAS No: 88046-62-2 Catalog No: AG004G3L MDL No:
Product Description
Catalog Number:
AG004G3L
Chemical Name:
Bicyclo[4.2.0]octan-2-one, 6-(acetyloxy)-4,4-dimethyl-7-(4-pentenyloxy)-
CAS Number:
88046-62-2
Molecular Formula:
C17H26O4
Molecular Weight:
294.3859
IUPAC Name:
(3,3-dimethyl-5-oxo-8-pent-4-enoxy-1-bicyclo[4.2.0]octanyl) acetate
InChI:
InChI=1S/C17H26O4/c1-5-6-7-8-20-15-9-13-14(19)10-16(3,4)11-17(13,15)21-12(2)18/h5,13,15H,1,6-11H2,2-4H3
InChI Key:
QXAUPXRSAIBVGK-UHFFFAOYSA-N
SMILES:
C=CCCCOC1CC2C1(OC(=O)C)CC(CC2=O)(C)C
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.183g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.391g/mol
Monoisotopic Mass:
294.183g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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