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14582-05-9 | 1,2,3-Trioxolane, 4,4,5,5-tetramethyl-
CAS No: 14582-05-9 Catalog No: AG001DG5 MDL No:
Product Description
Catalog Number:
AG001DG5
Chemical Name:
1,2,3-Trioxolane, 4,4,5,5-tetramethyl-
CAS Number:
14582-05-9
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
IUPAC Name:
4,4,5,5-tetramethyltrioxolane
InChI:
InChI=1S/C6H12O3/c1-5(2)6(3,4)8-9-7-5/h1-4H3
InChI Key:
VYBWZPRMSKKTKA-UHFFFAOYSA-N
SMILES:
CC1(C)OOOC1(C)C
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.159g/mol
Monoisotopic Mass:
132.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Post-transition state dynamics for propene ozonolysis: Intramolecular and unimolecular dynamics of molozonide. | The Journal of chemical physics 20060707 |
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