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Home > Indoles and Oxindole > 1955564-42-7
1955564-42-7 | 6-hydroxy-2-[(1H-indol-4-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one
CAS No: 1955564-42-7 Catalog No: AG01B63C MDL No:
Product Description
Catalog Number:
AG01B63C
Chemical Name:
6-hydroxy-2-[(1H-indol-4-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one
CAS Number:
1955564-42-7
Molecular Formula:
C17H11NO3
Molecular Weight:
277.2741
IUPAC Name:
6-hydroxy-2-(1H-indol-4-ylmethylidene)-1-benzofuran-3-one
InChI:
InChI=1S/C17H11NO3/c19-11-4-5-13-15(9-11)21-16(17(13)20)8-10-2-1-3-14-12(10)6-7-18-14/h1-9,18-19H
InChI Key:
KFVHDJSQDSWMCB-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)OC(=Cc1cccc3c1cc[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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