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Home > Other Building Blocks > 89332-95-6
89332-95-6 | 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-octyl-
CAS No: 89332-95-6 Catalog No: AG003YE9 MDL No:
Product Description
Catalog Number:
AG003YE9
Chemical Name:
1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-octyl-
CAS Number:
89332-95-6
Molecular Formula:
C14H24O4
Molecular Weight:
256.3380
IUPAC Name:
2,2-dimethyl-5-octyl-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C14H24O4/c1-4-5-6-7-8-9-10-11-12(15)17-14(2,3)18-13(11)16/h11H,4-10H2,1-3H3
InChI Key:
BNYAIHNXOHWKKE-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1C(=O)OC(OC1=O)(C)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.167g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.342g/mol
Monoisotopic Mass:
256.167g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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