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67801-09-6 | 5-[1-methyl-2-(3-methyl-2(3H)-benzoxazol-1-ylidene)ethylidene]-4-oxo-2-thioxo-3-oxazolidineethanesulphonic acid
CAS No: 67801-09-6 Catalog No: AG00FZ3M MDL No:
Product Description
Catalog Number:
AG00FZ3M
Chemical Name:
5-[1-methyl-2-(3-methyl-2(3H)-benzoxazol-1-ylidene)ethylidene]-4-oxo-2-thioxo-3-oxazolidineethanesulphonic acid
CAS Number:
67801-09-6
IUPAC Name:
2-[5-[1-(3-methyl-1,3-benzoxazol-2-ylidene)propan-2-ylidene]-4-oxo-2-sulfanylidene-1,3-oxazolidin-3-yl]ethanesulfonic acid
InChI:
InChI=1S/C16H16N2O6S2/c1-10(9-13-17(2)11-5-3-4-6-12(11)23-13)14-15(19)18(16(25)24-14)7-8-26(20,21)22/h3-6,9H,7-8H2,1-2H3,(H,20,21,22)
InChI Key:
WALBVDGKOSRRIN-UHFFFAOYSA-N
EC Number:
267-128-9
Properties
Complexity:
783
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.045g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
396.432g/mol
Monoisotopic Mass:
396.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.2
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