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113406-51-2 | 1,3-Dioxane, 4,6-dimethyl-2-methylene-
CAS No: 113406-51-2 Catalog No: AG0008HF MDL No:
Product Description
Catalog Number:
AG0008HF
Chemical Name:
1,3-Dioxane, 4,6-dimethyl-2-methylene-
CAS Number:
113406-51-2
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
IUPAC Name:
4,6-dimethyl-2-methylidene-1,3-dioxane
InChI:
InChI=1S/C7H12O2/c1-5-4-6(2)9-7(3)8-5/h5-6H,3-4H2,1-2H3
InChI Key:
SYKSRBWOTOSLBT-UHFFFAOYSA-N
SMILES:
CC1CC(C)OC(=C)O1
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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