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90052-76-9

90052-76-9 | Bicyclo[2.2.2]oct-5-en-2-one, 5,6-bis[(acetyloxy)methyl]-1,3,3-trimethyl-

CAS No: 90052-76-9 Catalog No: AG006KKE MDL No:

Product Description

Catalog Number:
AG006KKE
Chemical Name:
Bicyclo[2.2.2]oct-5-en-2-one, 5,6-bis[(acetyloxy)methyl]-1,3,3-trimethyl-
CAS Number:
90052-76-9
Molecular Formula:
C17H24O5
Molecular Weight:
308.3695
IUPAC Name:
[3-(acetyloxymethyl)-4,6,6-trimethyl-5-oxo-2-bicyclo[2.2.2]oct-2-enyl]methyl acetate
InChI:
InChI=1S/C17H24O5/c1-10(18)21-8-12-13-6-7-17(5,15(20)16(13,3)4)14(12)9-22-11(2)19/h13H,6-9H2,1-5H3
InChI Key:
IQEAJYZQKYMMSE-UHFFFAOYSA-N
SMILES:
CC(=O)OCC1=C(COC(=O)C)C2(CCC1C(C)(C)C2=O)C

Properties

Complexity:
557  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.162g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.374g/mol
Monoisotopic Mass:
308.162g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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