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100604-28-2 | 1,4-Dioxane, 2,5-bis(1,1-dimethylethoxy)-, trans- (9CI)
CAS No: 100604-28-2 Catalog No: AG0002GI MDL No:
Product Description
Catalog Number:
AG0002GI
Chemical Name:
1,4-Dioxane, 2,5-bis(1,1-dimethylethoxy)-, trans- (9CI)
CAS Number:
100604-28-2
Molecular Formula:
C12H24O4
Molecular Weight:
232.3166
IUPAC Name:
(2R,5S)-2,5-bis[(2-methylpropan-2-yl)oxy]-1,4-dioxane
InChI:
InChI=1S/C12H24O4/c1-11(2,3)15-9-7-14-10(8-13-9)16-12(4,5)6/h9-10H,7-8H2,1-6H3/t9-,10+
InChI Key:
UCCVRTYXTIHOKL-AOOOYVTPSA-N
SMILES:
CC(O[C@@H]1OC[C@H](OC1)OC(C)(C)C)(C)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
232.167g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.32g/mol
Monoisotopic Mass:
232.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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