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Home > Indoles and Oxindole > 146368-07-2
146368-07-2 | 3H-Indolium, 1-ethyl-2,3,3-trimethyl-5-sulfo-, inner salt
CAS No: 146368-07-2 Catalog No: AG001DY6 MDL No:MFCD07369396
Product Description
Catalog Number:
AG001DY6
Chemical Name:
3H-Indolium, 1-ethyl-2,3,3-trimethyl-5-sulfo-, inner salt
CAS Number:
146368-07-2
MDL Number:
MFCD07369396
IUPAC Name:
1-ethyl-2,3,3-trimethylindol-1-ium-5-sulfonate
InChI:
InChI=1S/C13H17NO3S/c1-5-14-9(2)13(3,4)11-8-10(18(15,16)17)6-7-12(11)14/h6-8H,5H2,1-4H3
InChI Key:
UQVWIROBIAWZFW-UHFFFAOYSA-N
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.343g/mol
Monoisotopic Mass:
267.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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