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Home > Indoles and Oxindole > 113995-55-4
113995-55-4 | 1,1,2-Trimethyl-1H-benzo[e]indole-7-sulfonic acid
CAS No: 113995-55-4 Catalog No: AG0081I5 MDL No:
Product Description
Catalog Number:
AG0081I5
Chemical Name:
1,1,2-Trimethyl-1H-benzo[e]indole-7-sulfonic acid
CAS Number:
113995-55-4
Molecular Formula:
C15H15NO3S
Molecular Weight:
289.3495
IUPAC Name:
1,1,2-trimethylbenzo[e]indole-7-sulfonic acid
InChI:
InChI=1S/C15H15NO3S/c1-9-15(2,3)14-12-6-5-11(20(17,18)19)8-10(12)4-7-13(14)16-9/h4-8H,1-3H3,(H,17,18,19)
InChI Key:
FARITYWNMPFIJN-UHFFFAOYSA-N
SMILES:
CC1=Nc2c(C1(C)C)c1ccc(cc1cc2)S(=O)(=O)O
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.077g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.349g/mol
Monoisotopic Mass:
289.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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