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60387-95-3 | 2-[5-(3-Methyl-2,3-dihydrobenzoxazole-2-ylidene)-1,3-pentadienyl]-3-methylbenzoxazole-3-ium
CAS No: 60387-95-3 Catalog No: AG00F472 MDL No:
Product Description
Catalog Number:
AG00F472
Chemical Name:
2-[5-(3-Methyl-2,3-dihydrobenzoxazole-2-ylidene)-1,3-pentadienyl]-3-methylbenzoxazole-3-ium
CAS Number:
60387-95-3
IUPAC Name:
3-methyl-2-[5-(3-methyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole
InChI:
InChI=1S/C21H19N2O2/c1-22-16-10-6-8-12-18(16)24-20(22)14-4-3-5-15-21-23(2)17-11-7-9-13-19(17)25-21/h3-15H,1-2H3/q+1
InChI Key:
OLKBWCXZNFPYNW-UHFFFAOYSA-N
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.145g/mol
Formal Charge:
1
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.395g/mol
Monoisotopic Mass:
331.145g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
5.1
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