Catalog Number |
ACM9005703-1 |
CAS |
9005-70-3 |
Synonyms |
PEG Sorbitan trioleate |
IUPAC Name |
Methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate |
Molecular Weight |
355.4 |
Molecular Formula |
C14H13NO6S2 |
Canonical SMILES |
COC(=O)C1=C(C=CS1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3 |
InChI |
KPCLPBLTPXDOIR-UHFFFAOYSA-N |
InChI Key |
InChI=1S/C14H13NO6S2/c1-19-14(16)13-12(4-5-22-13)23(17,18)15-7-9-2-3-10-11(6-9)21-8-20-10/h2-6,15H,7-8H2,1H3 |
Boiling Point |
100 °C |
Melting Point |
-20 °C |
Purity |
99% |
Density |
1.028g/ml |
Complexity |
534 |
Covalently-Bonded Unit Count |
1 |
Defined Atom Stereocenter Count |
0 |
Exact Mass |
355.01842948 |
Heavy Atom Count |
23 |
Hydrogen Bond Acceptor Count |
8 |
Hydrogen Bond Donor Count |
1 |
Monoisotopic Mass |
355.01842948 |
Physical State |
Liquid/Paste/Solid |
Rotatable Bond Count |
6 |
Topological Polar Surface Area |
128 Ų |
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