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85822-21-5 | 1,4-Benzodioxin-2,3-dimethanol, 2,3-dihydro-, dimethanesulfonate, cis-
CAS No: 85822-21-5 Catalog No: AG004O8T MDL No:
Product Description
Catalog Number:
AG004O8T
Chemical Name:
1,4-Benzodioxin-2,3-dimethanol, 2,3-dihydro-, dimethanesulfonate, cis-
CAS Number:
85822-21-5
Molecular Formula:
C12H20O10S2
Molecular Weight:
388.4112
IUPAC Name:
[(2S,3R)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methanol;methanesulfonic acid
InChI:
InChI=1S/C10H12O4.2CH4O3S/c11-5-9-10(6-12)14-8-4-2-1-3-7(8)13-9;2*1-5(2,3)4/h1-4,9-12H,5-6H2;2*1H3,(H,2,3,4)/t9-,10+;;
InChI Key:
LWBQCPHCMSMEOI-BUQWBUBUSA-N
SMILES:
CS(=O)(=O)O.CS(=O)(=O)O.OC[C@@H]1Oc2ccccc2O[C@@H]1CO
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
388.05g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
388.402g/mol
Monoisotopic Mass:
388.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
184A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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