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220118-56-9

220118-56-9 | 3H-Indolium, 1,2,3,3-tetramethyl-, methanesulfonate

CAS No: 220118-56-9 Catalog No: AG007Q7M MDL No:

Product Description

Catalog Number:
AG007Q7M
Chemical Name:
3H-Indolium, 1,2,3,3-tetramethyl-, methanesulfonate
CAS Number:
220118-56-9
Molecular Formula:
C13H19NO3S
Molecular Weight:
269.3599
IUPAC Name:
methanesulfonate;1,2,3,3-tetramethylindol-1-ium
InChI:
InChI=1S/C12H16N.CH4O3S/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;1-5(2,3)4/h5-8H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key:
SXPYMCMYLOSSJW-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)C.C[N+]1=C(C)C(c2c1cccc2)(C)C

Properties

Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.109g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.359g/mol
Monoisotopic Mass:
269.109g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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