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63149-24-6 | 1,1,2-Trimethyl-3-(4-sulfobutyl)benz[e]indolium, inner salt
CAS No: 63149-24-6 Catalog No: AG003D6C MDL No:
Product Description
Catalog Number:
AG003D6C
Chemical Name:
1,1,2-Trimethyl-3-(4-sulfobutyl)benz[e]indolium, inner salt
CAS Number:
63149-24-6
IUPAC Name:
4-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)butane-1-sulfonate
InChI:
InChI=1S/C19H23NO3S/c1-14-19(2,3)18-16-9-5-4-8-15(16)10-11-17(18)20(14)12-6-7-13-24(21,22)23/h4-5,8-11H,6-7,12-13H2,1-3H3
InChI Key:
GJCURKVOCXJAIV-UHFFFAOYSA-N
EC Number:
263-961-7
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.14g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.457g/mol
Monoisotopic Mass:
345.14g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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