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Home > Indoles and Oxindole > 67786-12-3
67786-12-3 | 1H-Indole-5-sulfonic acid, 2-methyl-
CAS No: 67786-12-3 Catalog No: AG005PRJ MDL No:
Product Description
Catalog Number:
AG005PRJ
Chemical Name:
1H-Indole-5-sulfonic acid, 2-methyl-
CAS Number:
67786-12-3
Molecular Formula:
C9H9NO3S
Molecular Weight:
211.2377
IUPAC Name:
2-methyl-1H-indole-5-sulfonic acid
InChI:
InChI=1S/C9H9NO3S/c1-6-4-7-5-8(14(11,12)13)2-3-9(7)10-6/h2-5,10H,1H3,(H,11,12,13)
InChI Key:
OOHJCZBVOJRQOV-UHFFFAOYSA-N
SMILES:
Cc1[nH]c2c(c1)cc(cc2)S(=O)(=O)O
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.235g/mol
Monoisotopic Mass:
211.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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