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113427-02-4 | 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(2-propen-1-yl)-
CAS No: 113427-02-4 Catalog No: AG0008K0 MDL No:
Product Description
Catalog Number:
AG0008K0
Chemical Name:
1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(2-propen-1-yl)-
CAS Number:
113427-02-4
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
IUPAC Name:
2,2-dimethyl-5-prop-2-enyl-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C9H12O4/c1-4-5-6-7(10)12-9(2,3)13-8(6)11/h4,6H,1,5H2,2-3H3
InChI Key:
PXCMICILBQBAQJ-UHFFFAOYSA-N
SMILES:
C=CCC1C(=O)OC(OC1=O)(C)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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