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929339-35-5 | 6-hydroxy-2-[(5-methoxy-1-methyl-1H-indol-3-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one
CAS No: 929339-35-5 Catalog No: AG019MKN MDL No:MFCD09259079
Product Description
Catalog Number:
AG019MKN
Chemical Name:
6-hydroxy-2-[(5-methoxy-1-methyl-1H-indol-3-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one
CAS Number:
929339-35-5
Molecular Formula:
C19H15NO4
Molecular Weight:
321.3267
MDL Number:
MFCD09259079
IUPAC Name:
6-hydroxy-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-1-benzofuran-3-one
InChI:
InChI=1S/C19H15NO4/c1-20-10-11(15-9-13(23-2)4-6-16(15)20)7-18-19(22)14-5-3-12(21)8-17(14)24-18/h3-10,21H,1-2H3
InChI Key:
PRAGIQLGIQWVRF-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C=C1Oc3c(C1=O)ccc(c3)O)cn2C
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.1g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.332g/mol
Monoisotopic Mass:
321.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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