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Home > Indoles and Oxindole > 326907-81-7
326907-81-7 | 3-[3-(2,3-dihydro-1H-indole-1-sulfonyl)-4,5-dimethoxyphenyl]prop-2-enoic acid
CAS No: 326907-81-7 Catalog No: AG019GJS MDL No:MFCD02658815
Product Description
Catalog Number:
AG019GJS
Chemical Name:
3-[3-(2,3-dihydro-1H-indole-1-sulfonyl)-4,5-dimethoxyphenyl]prop-2-enoic acid
CAS Number:
326907-81-7
Molecular Formula:
C19H19NO6S
Molecular Weight:
389.4223
MDL Number:
MFCD02658815
IUPAC Name:
3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethoxyphenyl]prop-2-enoic acid
InChI:
InChI=1S/C19H19NO6S/c1-25-16-11-13(7-8-18(21)22)12-17(19(16)26-2)27(23,24)20-10-9-14-5-3-4-6-15(14)20/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)
InChI Key:
VOCNVRJXSJPINX-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(cc1S(=O)(=O)N1CCc2c1cccc2)C=CC(=O)O
Properties
Complexity:
658
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.093g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
389.422g/mol
Monoisotopic Mass:
389.093g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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