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41503-58-6 | 3-methyl-2-[3-(3-methyl-3H-benzoxazol-2-ylidene)prop-1-enyl]benzoxazolium p-toluenesulphonate
CAS No: 41503-58-6 Catalog No: AG00D6XP MDL No:
Product Description
Catalog Number:
AG00D6XP
Chemical Name:
3-methyl-2-[3-(3-methyl-3H-benzoxazol-2-ylidene)prop-1-enyl]benzoxazolium p-toluenesulphonate
CAS Number:
41503-58-6
IUPAC Name:
4-methylbenzenesulfonate;(2Z)-3-methyl-2-[(E)-3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole
InChI:
InChI=1S/C19H17N2O2.C7H8O3S/c1-20-14-8-3-5-10-16(14)22-18(20)12-7-13-19-21(2)15-9-4-6-11-17(15)23-19;1-6-2-4-7(5-3-6)11(8,9)10/h3-13H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
YWXXFCTUEZUPQE-UHFFFAOYSA-M
EC Number:
255-414-6
Properties
Complexity:
641
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
476.141g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
476.547g/mol
Monoisotopic Mass:
476.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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