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68025-27-4

68025-27-4 | 2-(2-ethoxybut-1-enyl)-5-phenyl-3-(3-sulphonatopropyl)benzoxazolium

CAS No: 68025-27-4 Catalog No: AG00FO6B MDL No:

Product Description

Catalog Number:
AG00FO6B
Chemical Name:
2-(2-ethoxybut-1-enyl)-5-phenyl-3-(3-sulphonatopropyl)benzoxazolium
CAS Number:
68025-27-4
IUPAC Name:
3-[2-(2-ethoxybut-1-enyl)-5-phenyl-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate
InChI:
InChI=1S/C22H25NO5S/c1-3-19(27-4-2)16-22-23(13-8-14-29(24,25)26)20-15-18(11-12-21(20)28-22)17-9-6-5-7-10-17/h5-7,9-12,15-16H,3-4,8,13-14H2,1-2H3
InChI Key:
HBFKQGKELXIJKJ-UHFFFAOYSA-N
EC Number:
268-185-2

Properties

Complexity:
625  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.145g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
415.504g/mol
Monoisotopic Mass:
415.145g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.2  

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