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143413-86-9 | oxazole yellow
CAS No: 143413-86-9 Catalog No: AG00AOC6 MDL No:
Product Description
Catalog Number:
AG00AOC6
Chemical Name:
oxazole yellow
CAS Number:
143413-86-9
IUPAC Name:
(2Z)-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzoxazole;iodide
InChI:
InChI=1S/C19H17N2O.HI/c1-20-12-11-14(15-7-3-4-8-16(15)20)13-19-21(2)17-9-5-6-10-18(17)22-19;/h3-13H,1-2H3;1H/q+1;/p-1
InChI Key:
YBTNFTNPBCSMSD-UHFFFAOYSA-M
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
416.039g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.262g/mol
Monoisotopic Mass:
416.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
16.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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