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113802-17-8 | Hexanoic acid, 2-acetyl-5-(acetyloxy)-3-oxo-, 1,1-dimethylethyl ester
CAS No: 113802-17-8 Catalog No: AG0009R3 MDL No:
Product Description
Catalog Number:
AG0009R3
Chemical Name:
Hexanoic acid, 2-acetyl-5-(acetyloxy)-3-oxo-, 1,1-dimethylethyl ester
CAS Number:
113802-17-8
Molecular Formula:
C14H22O6
Molecular Weight:
286.3209
IUPAC Name:
tert-butyl 2-acetyl-5-acetyloxy-3-oxohexanoate
InChI:
InChI=1S/C14H22O6/c1-8(19-10(3)16)7-11(17)12(9(2)15)13(18)20-14(4,5)6/h8,12H,7H2,1-6H3
InChI Key:
KCOVDXUTWLOFCS-UHFFFAOYSA-N
SMILES:
CC(=O)OC(CC(=O)C(C(=O)OC(C)(C)C)C(=O)C)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.324g/mol
Monoisotopic Mass:
286.142g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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