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835640-77-2 | 1,4-Dioxin, 2,3-dihydro-2,3-dimethoxy-2,3,5-trimethyl-, (2S,3S)-
CAS No: 835640-77-2 Catalog No: AG0057KE MDL No:
Product Description
Catalog Number:
AG0057KE
Chemical Name:
1,4-Dioxin, 2,3-dihydro-2,3-dimethoxy-2,3,5-trimethyl-, (2S,3S)-
CAS Number:
835640-77-2
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
IUPAC Name:
(2S,3S)-2,3-dimethoxy-2,3,5-trimethyl-1,4-dioxine
InChI:
InChI=1S/C9H16O4/c1-7-6-12-8(2,10-4)9(3,11-5)13-7/h6H,1-5H3/t8-,9-/m0/s1
InChI Key:
JKLDAEGUISTBFC-IUCAKERBSA-N
SMILES:
CO[C@@]1(C)OC(=CO[C@]1(C)OC)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
188.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.223g/mol
Monoisotopic Mass:
188.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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