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Home > Indoles and Oxindole > 1955564-23-4
1955564-23-4 | 6-hydroxy-2-[(1H-indol-5-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one
CAS No: 1955564-23-4 Catalog No: AG01B60Y MDL No:
Product Description
Catalog Number:
AG01B60Y
Chemical Name:
6-hydroxy-2-[(1H-indol-5-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one
CAS Number:
1955564-23-4
Molecular Formula:
C17H11NO3
Molecular Weight:
277.2741
IUPAC Name:
6-hydroxy-2-(1H-indol-5-ylmethylidene)-1-benzofuran-3-one
InChI:
InChI=1S/C17H11NO3/c19-12-2-3-13-15(9-12)21-16(17(13)20)8-10-1-4-14-11(7-10)5-6-18-14/h1-9,18-19H
InChI Key:
IHZNIQMJLCILAJ-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)OC(=Cc1ccc3c(c1)cc[nH]3)C2=O
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.074g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.279g/mol
Monoisotopic Mass:
277.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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