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246516-15-4 | 3H-Indolium, 1-(5-carboxypentyl)-2,3,3-trimethyl-5-sulfo-, inner salt, potassium salt (1:1)
CAS No: 246516-15-4 Catalog No: AG002OYD MDL No:
Product Description
Catalog Number:
AG002OYD
Chemical Name:
3H-Indolium, 1-(5-carboxypentyl)-2,3,3-trimethyl-5-sulfo-, inner salt, potassium salt (1:1)
CAS Number:
246516-15-4
IUPAC Name:
potassium;1-(5-carboxypentyl)-2,3,3-trimethylindol-1-ium-5-sulfonate
InChI:
InChI=1S/C17H23NO5S.K/c1-12-17(2,3)14-11-13(24(21,22)23)8-9-15(14)18(12)10-6-4-5-7-16(19)20;/h8-9,11H,4-7,10H2,1-3H3,(H-,19,20,21,22,23);/q;+1
InChI Key:
DGVWHWGURVQFHH-UHFFFAOYSA-N
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.093g/mol
Formal Charge:
1
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
392.531g/mol
Monoisotopic Mass:
392.093g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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