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138764-75-7 | 2,4-Hexanedione, 6,6'-[1,2-ethanediylbis(oxy)]bis- (9CI)
CAS No: 138764-75-7 Catalog No: AG0019ID MDL No:
Product Description
Catalog Number:
AG0019ID
Chemical Name:
2,4-Hexanedione, 6,6'-[1,2-ethanediylbis(oxy)]bis- (9CI)
CAS Number:
138764-75-7
Molecular Formula:
C14H22O6
Molecular Weight:
286.3209
IUPAC Name:
6-[2-(3,5-dioxohexoxy)ethoxy]hexane-2,4-dione
InChI:
InChI=1S/C14H22O6/c1-11(15)9-13(17)3-5-19-7-8-20-6-4-14(18)10-12(2)16/h3-10H2,1-2H3
InChI Key:
GNCCUMYSSGJKED-UHFFFAOYSA-N
SMILES:
O=C(CC(=O)C)CCOCCOCCC(=O)CC(=O)C
Properties
Complexity:
314
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:
13
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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