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Home > Indoles and Oxindole > 929339-43-5
929339-43-5 | 2-[(1-ethyl-5-methoxy-1H-indol-3-yl)methylidene]-6-hydroxy-2,3-dihydro-1-benzofuran-3-one
CAS No: 929339-43-5 Catalog No: AG019MJ0 MDL No:MFCD09259083
Product Description
Catalog Number:
AG019MJ0
Chemical Name:
2-[(1-ethyl-5-methoxy-1H-indol-3-yl)methylidene]-6-hydroxy-2,3-dihydro-1-benzofuran-3-one
CAS Number:
929339-43-5
Molecular Formula:
C20H17NO4
Molecular Weight:
335.3533
MDL Number:
MFCD09259083
IUPAC Name:
2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-6-hydroxy-1-benzofuran-3-one
InChI:
InChI=1S/C20H17NO4/c1-3-21-11-12(16-10-14(24-2)5-7-17(16)21)8-19-20(23)15-6-4-13(22)9-18(15)25-19/h4-11,22H,3H2,1-2H3
InChI Key:
PQUZJYJVDVRAQO-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C=C1Oc3c(C1=O)ccc(c3)O)cn2CC
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.116g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.359g/mol
Monoisotopic Mass:
335.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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