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132557-73-4 | 3H-Indole-5-sulfonic acid, 2,3,3-trimethyl-, compd. with N,N-diethylethanamine (1:1)
CAS No: 132557-73-4 Catalog No: AG0010T2 MDL No:MFCD09033907
Product Description
Catalog Number:
AG0010T2
Chemical Name:
3H-Indole-5-sulfonic acid, 2,3,3-trimethyl-, compd. with N,N-diethylethanamine (1:1)
CAS Number:
132557-73-4
Molecular Formula:
C17H28N2O3S
Molecular Weight:
340.4808
MDL Number:
MFCD09033907
IUPAC Name:
2,3,3-trimethylindole-5-sulfonic acid
InChI:
InChI=1S/C11H13NO3S/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)
InChI Key:
HUFDYAIAEFHOKI-UHFFFAOYSA-N
SMILES:
CC1=Nc2c(C1(C)C)cc(cc2)S(=O)(=O)O.CCN(CC)CC
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.289g/mol
Monoisotopic Mass:
239.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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