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87973-57-7 | 1,3-Dioxane, 2-butoxy-
CAS No: 87973-57-7 Catalog No: AG004PB2 MDL No:
Product Description
Catalog Number:
AG004PB2
Chemical Name:
1,3-Dioxane, 2-butoxy-
CAS Number:
87973-57-7
Molecular Formula:
C8H16O3
Molecular Weight:
160.2108
IUPAC Name:
2-butoxy-1,3-dioxane
InChI:
InChI=1S/C8H16O3/c1-2-3-5-9-8-10-6-4-7-11-8/h8H,2-7H2,1H3
InChI Key:
MEGATJJUPGXXDA-UHFFFAOYSA-N
SMILES:
CCCCOC1OCCCO1
Properties
Complexity:
89.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.213g/mol
Monoisotopic Mass:
160.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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