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3080-70-4 | 1,3-Dioxane, 2-butyl-4-methyl-
CAS No: 3080-70-4 Catalog No: AG0031C7 MDL No:
Product Description
Catalog Number:
AG0031C7
Chemical Name:
1,3-Dioxane, 2-butyl-4-methyl-
CAS Number:
3080-70-4
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
IUPAC Name:
2-butyl-4-methyl-1,3-dioxane
InChI:
InChI=1S/C9H18O2/c1-3-4-5-9-10-7-6-8(2)11-9/h8-9H,3-7H2,1-2H3
InChI Key:
BVQVAMYLGLKJLO-UHFFFAOYSA-N
SMILES:
CCCCC1OCCC(O1)C
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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