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15795-47-8 | 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(2-methylpropylidene)-
CAS No: 15795-47-8 Catalog No: AG001PUO MDL No:
Product Description
Catalog Number:
AG001PUO
Chemical Name:
1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(2-methylpropylidene)-
CAS Number:
15795-47-8
Molecular Formula:
C10H14O4
Molecular Weight:
198.2158
IUPAC Name:
2,2-dimethyl-5-(2-methylpropylidene)-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C10H14O4/c1-6(2)5-7-8(11)13-10(3,4)14-9(7)12/h5-6H,1-4H3
InChI Key:
ZFWVGTHZSVXZBY-UHFFFAOYSA-N
SMILES:
CC(C=C1C(=O)OC(OC1=O)(C)C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.089g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.218g/mol
Monoisotopic Mass:
198.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| tert-Butyl 4-isopropyl-2-oxo-6-phenyl-3,4-dihydro-2H-pyran-3-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20100501 |
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