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132415-06-6 | 1,3-Dioxane-4,6-dione, 5-(cyclohexylhydroxymethylene)-2,2-dimethyl-
CAS No: 132415-06-6 Catalog No: AG0010NQ MDL No:
Product Description
Catalog Number:
AG0010NQ
Chemical Name:
1,3-Dioxane-4,6-dione, 5-(cyclohexylhydroxymethylene)-2,2-dimethyl-
CAS Number:
132415-06-6
Molecular Formula:
C13H18O5
Molecular Weight:
254.2790
IUPAC Name:
5-[cyclohexyl(hydroxy)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C13H18O5/c1-13(2)17-11(15)9(12(16)18-13)10(14)8-6-4-3-5-7-8/h8,14H,3-7H2,1-2H3
InChI Key:
SSRZDWMVPYKSSG-UHFFFAOYSA-N
SMILES:
OC(=C1C(=O)OC(OC1=O)(C)C)C1CCCCC1
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.282g/mol
Monoisotopic Mass:
254.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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