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Home > Indoles and Oxindole > 847255-84-9
847255-84-9 | 1H-Indole, 3-(ethenylsulfonyl)-5-methoxy-2-methyl-
CAS No: 847255-84-9 Catalog No: AG004PD1 MDL No:
Product Description
Catalog Number:
AG004PD1
Chemical Name:
1H-Indole, 3-(ethenylsulfonyl)-5-methoxy-2-methyl-
CAS Number:
847255-84-9
Molecular Formula:
C12H13NO3S
Molecular Weight:
251.3015
IUPAC Name:
3-ethenylsulfonyl-5-methoxy-2-methyl-1H-indole
InChI:
InChI=1S/C12H13NO3S/c1-4-17(14,15)12-8(2)13-11-6-5-9(16-3)7-10(11)12/h4-7,13H,1H2,2-3H3
InChI Key:
CPKCMSXKPGMDNA-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(c([nH]2)C)S(=O)(=O)C=C
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.3g/mol
Monoisotopic Mass:
251.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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