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Home > Indoles and Oxindole > 929339-21-9
929339-21-9 | 6-hydroxy-2-[(1-methyl-1H-indol-3-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one
CAS No: 929339-21-9 Catalog No: AG019MKQ MDL No:MFCD08743253
Product Description
Catalog Number:
AG019MKQ
Chemical Name:
6-hydroxy-2-[(1-methyl-1H-indol-3-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one
CAS Number:
929339-21-9
Molecular Formula:
C18H13NO3
Molecular Weight:
291.3007
MDL Number:
MFCD08743253
IUPAC Name:
(2Z)-6-hydroxy-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one
InChI:
InChI=1S/C18H13NO3/c1-19-10-11(13-4-2-3-5-15(13)19)8-17-18(21)14-7-6-12(20)9-16(14)22-17/h2-10,20H,1H3/b17-8-
InChI Key:
FIBUPWAMVDZIAE-IUXPMGMMSA-N
SMILES:
Oc1ccc2c(c1)OC(=Cc1cn(c3c1cccc3)C)C2=O
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
291.09g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.306g/mol
Monoisotopic Mass:
291.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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