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113435-61-3 | Cyclohexanone, 2,2,6,6-tetrakis[(acetyloxy)methyl]-
CAS No: 113435-61-3 Catalog No: AG0008L0 MDL No:
Product Description
Catalog Number:
AG0008L0
Chemical Name:
Cyclohexanone, 2,2,6,6-tetrakis[(acetyloxy)methyl]-
CAS Number:
113435-61-3
Molecular Formula:
C18H26O9
Molecular Weight:
386.3936
IUPAC Name:
[1,3,3-tris(acetyloxymethyl)-2-oxocyclohexyl]methyl acetate
InChI:
InChI=1S/C18H26O9/c1-12(19)24-8-17(9-25-13(2)20)6-5-7-18(16(17)23,10-26-14(3)21)11-27-15(4)22/h5-11H2,1-4H3
InChI Key:
QVDKNUFYUWVGDN-UHFFFAOYSA-N
SMILES:
CC(=O)OCC1(CCCC(C1=O)(COC(=O)C)COC(=O)C)COC(=O)C
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.158g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.397g/mol
Monoisotopic Mass:
386.158g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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