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164531-22-0 | 2-Propenoic acid, 3-[1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]-, (2E)-
CAS No: 164531-22-0 Catalog No: AG001UXM MDL No:
Product Description
Catalog Number:
AG001UXM
Chemical Name:
2-Propenoic acid, 3-[1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]-, (2E)-
CAS Number:
164531-22-0
Molecular Formula:
C18H15NO4S
Molecular Weight:
341.3810
IUPAC Name:
3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoic acid
InChI:
InChI=1S/C18H15NO4S/c1-13-6-9-15(10-7-13)24(22,23)19-12-14(8-11-18(20)21)16-4-2-3-5-17(16)19/h2-12H,1H3,(H,20,21)
InChI Key:
XOIGITWGUHKORS-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/c1cn(c2c1cccc2)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.072g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.381g/mol
Monoisotopic Mass:
341.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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