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Home > Other Heterocycles > 85567-34-6
85567-34-6 | Ethanone,2-(acetyloxy)-1-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-
CAS No: 85567-34-6 Catalog No: AG004UGQ MDL No:
Product Description
Catalog Number:
AG004UGQ
Chemical Name:
Ethanone,2-(acetyloxy)-1-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-
CAS Number:
85567-34-6
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
IUPAC Name:
[2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-oxoethyl] acetate
InChI:
InChI=1S/C13H20O3/c1-8(14)16-7-11(15)12-9-4-5-10(6-9)13(12,2)3/h9-10,12H,4-7H2,1-3H3
InChI Key:
MXJCPTYDEJUXMD-UHFFFAOYSA-N
SMILES:
CC(=O)OCC(=O)C1C2CCC(C1(C)C)C2
EC Number:
287-748-3
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.141g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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