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Home > Other Heterocycles > 88046-54-2
88046-54-2 | Bicyclo[4.2.0]octan-2-one, 6-(acetyloxy)-7-ethoxy-4,4-dimethyl-
CAS No: 88046-54-2 Catalog No: AG004G3N MDL No:
Product Description
Catalog Number:
AG004G3N
Chemical Name:
Bicyclo[4.2.0]octan-2-one, 6-(acetyloxy)-7-ethoxy-4,4-dimethyl-
CAS Number:
88046-54-2
Molecular Formula:
C14H22O4
Molecular Weight:
254.3221
IUPAC Name:
(8-ethoxy-3,3-dimethyl-5-oxo-1-bicyclo[4.2.0]octanyl) acetate
InChI:
InChI=1S/C14H22O4/c1-5-17-12-6-10-11(16)7-13(3,4)8-14(10,12)18-9(2)15/h10,12H,5-8H2,1-4H3
InChI Key:
CLDZWHQEVHKKBG-UHFFFAOYSA-N
SMILES:
CCOC1CC2C1(OC(=O)C)CC(CC2=O)(C)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.326g/mol
Monoisotopic Mass:
254.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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