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Home > Indoles and Oxindole > 929339-33-3
929339-33-3 | 6-hydroxy-2-[(5-methoxy-1-methyl-1H-indol-3-yl)methylidene]-7-methyl-2,3-dihydro-1-benzofuran-3-one
CAS No: 929339-33-3 Catalog No: AG019MK9 MDL No:MFCD09259078
Product Description
Catalog Number:
AG019MK9
Chemical Name:
6-hydroxy-2-[(5-methoxy-1-methyl-1H-indol-3-yl)methylidene]-7-methyl-2,3-dihydro-1-benzofuran-3-one
CAS Number:
929339-33-3
Molecular Formula:
C20H17NO4
Molecular Weight:
335.3533
MDL Number:
MFCD09259078
IUPAC Name:
6-hydroxy-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-7-methyl-1-benzofuran-3-one
InChI:
InChI=1S/C20H17NO4/c1-11-17(22)7-5-14-19(23)18(25-20(11)14)8-12-10-21(2)16-6-4-13(24-3)9-15(12)16/h4-10,22H,1-3H3
InChI Key:
ZMGGSOJIOKYFAY-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C=C1Oc3c(C1=O)ccc(c3C)O)cn2C
Properties
Complexity:
562
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:
2
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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