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Home > Indoles and Oxindole > 102210-80-0
102210-80-0 | 2-Buten-1-one, 3-methyl-1-[1-(phenylsulfonyl)-1H-indol-3-yl]-
CAS No: 102210-80-0 Catalog No: AG0006Y8 MDL No:
Product Description
Catalog Number:
AG0006Y8
Chemical Name:
2-Buten-1-one, 3-methyl-1-[1-(phenylsulfonyl)-1H-indol-3-yl]-
CAS Number:
102210-80-0
Molecular Formula:
C19H17NO3S
Molecular Weight:
339.4082
IUPAC Name:
1-[1-(benzenesulfonyl)indol-3-yl]-3-methylbut-2-en-1-one
InChI:
InChI=1S/C19H17NO3S/c1-14(2)12-19(21)17-13-20(18-11-7-6-10-16(17)18)24(22,23)15-8-4-3-5-9-15/h3-13H,1-2H3
InChI Key:
FMTZUGJMIWPGDX-UHFFFAOYSA-N
SMILES:
CC(=CC(=O)c1cn(c2c1cccc2)S(=O)(=O)c1ccccc1)C
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.093g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.409g/mol
Monoisotopic Mass:
339.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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