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Home > Indoles and Oxindole > 164471-66-3
164471-66-3 | 1(3H)-Isobenzofuranone, 3-(1H-indol-2-ylmethylene)-
CAS No: 164471-66-3 Catalog No: AG001UWV MDL No:
Product Description
Catalog Number:
AG001UWV
Chemical Name:
1(3H)-Isobenzofuranone, 3-(1H-indol-2-ylmethylene)-
CAS Number:
164471-66-3
Molecular Formula:
C17H11NO2
Molecular Weight:
261.2747
IUPAC Name:
3-(1H-indol-2-ylmethylidene)-2-benzofuran-1-one
InChI:
InChI=1S/C17H11NO2/c19-17-14-7-3-2-6-13(14)16(20-17)10-12-9-11-5-1-4-8-15(11)18-12/h1-10,18H
InChI Key:
KMXLMXRDYDZPLN-UHFFFAOYSA-N
SMILES:
O=C1OC(=Cc2cc3c([nH]2)cccc3)c2c1cccc2
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.079g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.28g/mol
Monoisotopic Mass:
261.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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