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Home > Indoles and Oxindole > 64361-21-3
64361-21-3 | 3H-Indol-3-one, 2,2'-(1,2-ethanediylidene)bis[1,2-dihydro-
CAS No: 64361-21-3 Catalog No: AG00H8B8 MDL No:
Product Description
Catalog Number:
AG00H8B8
Chemical Name:
3H-Indol-3-one, 2,2'-(1,2-ethanediylidene)bis[1,2-dihydro-
CAS Number:
64361-21-3
Molecular Formula:
C18H12N2O2
Molecular Weight:
288.3001
IUPAC Name:
2-[2-(3-hydroxy-1H-indol-2-yl)ethenyl]indol-3-one
InChI:
InChI=1S/C18H12N2O2/c21-17-11-5-1-3-7-13(11)19-15(17)9-10-16-18(22)12-6-2-4-8-14(12)20-16/h1-10,19,21H
InChI Key:
YLLJHZRVKGCOAO-UHFFFAOYSA-N
SMILES:
O=C1C(=CC=C2Nc3c(C2=O)cccc3)Nc2c1cccc2
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.09g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.306g/mol
Monoisotopic Mass:
288.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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