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164790-46-9 | 1,4-Dioxane-2,5-dione, 3,6-dihexyl-
CAS No: 164790-46-9 Catalog No: AG001V2X MDL No:
Product Description
Catalog Number:
AG001V2X
Chemical Name:
1,4-Dioxane-2,5-dione, 3,6-dihexyl-
CAS Number:
164790-46-9
Molecular Formula:
C16H28O4
Molecular Weight:
284.3911
IUPAC Name:
3,6-dihexyl-1,4-dioxane-2,5-dione
InChI:
InChI=1S/C16H28O4/c1-3-5-7-9-11-13-15(17)20-14(16(18)19-13)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChI Key:
VSORDMNKDOKERL-UHFFFAOYSA-N
SMILES:
CCCCCCC1OC(=O)C(OC1=O)CCCCCC
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.199g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.396g/mol
Monoisotopic Mass:
284.199g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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