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Home > Indoles and Oxindole > 929339-49-1
929339-49-1 | 2-[(1-ethyl-5-methoxy-1H-indol-3-yl)methylidene]-6-hydroxy-7-methyl-2,3-dihydro-1-benzofuran-3-one
CAS No: 929339-49-1 Catalog No: AG019MJ7 MDL No:MFCD09259086
Product Description
Catalog Number:
AG019MJ7
Chemical Name:
2-[(1-ethyl-5-methoxy-1H-indol-3-yl)methylidene]-6-hydroxy-7-methyl-2,3-dihydro-1-benzofuran-3-one
CAS Number:
929339-49-1
Molecular Formula:
C21H19NO4
Molecular Weight:
349.3799
MDL Number:
MFCD09259086
IUPAC Name:
2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-6-hydroxy-7-methyl-1-benzofuran-3-one
InChI:
InChI=1S/C21H19NO4/c1-4-22-11-13(16-10-14(25-3)5-7-17(16)22)9-19-20(24)15-6-8-18(23)12(2)21(15)26-19/h5-11,23H,4H2,1-3H3
InChI Key:
UDDOICKRMDJBMR-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C=C1Oc3c(C1=O)ccc(c3C)O)cn2CC
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.131g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.386g/mol
Monoisotopic Mass:
349.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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