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71215-62-8 | 5-[1-Methyl-2-(3-methyl-3H-benzoxazol-2-ylidene)ethylidene]-4-oxo-2-thioxo-3-oxazolidine-1-propanesulfonic acid
CAS No: 71215-62-8 Catalog No: AG00FUKM MDL No:
Product Description
Catalog Number:
AG00FUKM
Chemical Name:
5-[1-Methyl-2-(3-methyl-3H-benzoxazol-2-ylidene)ethylidene]-4-oxo-2-thioxo-3-oxazolidine-1-propanesulfonic acid
CAS Number:
71215-62-8
IUPAC Name:
3-[(5Z)-5-[(1Z)-1-(3-methyl-1,3-benzoxazol-2-ylidene)propan-2-ylidene]-4-oxo-2-sulfanylidene-1,3-oxazolidin-3-yl]propane-1-sulfonic acid
InChI:
InChI=1S/C17H18N2O6S2/c1-11(10-14-18(2)12-6-3-4-7-13(12)24-14)15-16(20)19(17(26)25-15)8-5-9-27(21,22)23/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,21,22,23)/b14-10-,15-11-
InChI Key:
QUHCRSBMZCUCMH-HYQBVQLESA-N
Properties
Complexity:
799
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
410.061g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
410.459g/mol
Monoisotopic Mass:
410.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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