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Home > Indoles and Oxindole > 287188-58-3
287188-58-3 | 3H-Indole-5-sulfonic acid, 2,3,3-trimethyl-, sodium salt (1:1)
CAS No: 287188-58-3 Catalog No: AG002W9H MDL No:MFCD03093242
Product Description
Catalog Number:
AG002W9H
Chemical Name:
3H-Indole-5-sulfonic acid, 2,3,3-trimethyl-, sodium salt (1:1)
CAS Number:
287188-58-3
Molecular Formula:
C11H12NNaO3S
Molecular Weight:
261.2726
MDL Number:
MFCD03093242
IUPAC Name:
sodium;2,3,3-trimethylindole-5-sulfonate
InChI:
InChI=1S/C11H13NO3S.Na/c1-7-11(2,3)9-6-8(16(13,14)15)4-5-10(9)12-7;/h4-6H,1-3H3,(H,13,14,15);/q;+1/p-1
InChI Key:
VLSLTESEMMTYMX-UHFFFAOYSA-M
SMILES:
CC1=Nc2c(C1(C)C)cc(cc2)S(=O)(=O)[O-].[Na+]
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.044g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.271g/mol
Monoisotopic Mass:
261.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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