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About This Item
Empirical Formula (Hill Notation):
C13H18O5S
CAS Number:
Molecular Weight:
286.34
Beilstein:
89800
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
NACRES:
NA.22
Assay
≥99.0% (sum of enantiomers, GC)
form
solid
optical activity
[α]/D −7.0±0.5°, neat
storage temp.
−20°C
SMILES string
Cc1ccc(cc1)S(=O)(=O)OC[C@H]2COC(C)(C)O2
InChI
1S/C13H18O5S/c1-10-4-6-12(7-5-10)19(14,15)17-9-11-8-16-13(2,3)18-11/h4-7,11H,8-9H2,1-3H3/t11-/m1/s1
InChI key
SRKDUHUULIWXFT-LLVKDONJSA-N
Other Notes
Chiral building block
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
235.4 °F - closed cup
Flash Point(C)
113 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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