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87494-30-2 | 1,3-Dioxane, 2-(hexyloxy)-
CAS No: 87494-30-2 Catalog No: AG004I1N MDL No:
Product Description
Catalog Number:
AG004I1N
Chemical Name:
1,3-Dioxane, 2-(hexyloxy)-
CAS Number:
87494-30-2
Molecular Formula:
C10H20O3
Molecular Weight:
188.2640
IUPAC Name:
2-hexoxy-1,3-dioxane
InChI:
InChI=1S/C10H20O3/c1-2-3-4-5-7-11-10-12-8-6-9-13-10/h10H,2-9H2,1H3
InChI Key:
MOKTVPWJCRASGQ-UHFFFAOYSA-N
SMILES:
CCCCCCOC1OCCCO1
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.141g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.267g/mol
Monoisotopic Mass:
188.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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