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82430-97-5 | 1,2-Dioxetane, 3,3-diethyl-
CAS No: 82430-97-5 Catalog No: AG004WQW MDL No:
Product Description
Catalog Number:
AG004WQW
Chemical Name:
1,2-Dioxetane, 3,3-diethyl-
CAS Number:
82430-97-5
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
IUPAC Name:
3,3-diethyldioxetane
InChI:
InChI=1S/C6H12O2/c1-3-6(4-2)5-7-8-6/h3-5H2,1-2H3
InChI Key:
UMBWPVBZMJNVRP-UHFFFAOYSA-N
SMILES:
CCC1(CC)COO1
Properties
Complexity:
76.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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