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16282-27-2 | 1,4-Dioxane, 2-octyl-
CAS No: 16282-27-2 Catalog No: AG001TGQ MDL No:
Product Description
Catalog Number:
AG001TGQ
Chemical Name:
1,4-Dioxane, 2-octyl-
CAS Number:
16282-27-2
Molecular Formula:
C12H24O2
Molecular Weight:
200.3178
IUPAC Name:
2-octyl-1,4-dioxane
InChI:
InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-12-11-13-9-10-14-12/h12H,2-11H2,1H3
InChI Key:
NOFHGTFVUKJZTK-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1OCCOC1
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.178g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.322g/mol
Monoisotopic Mass:
200.178g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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