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Home > Indoles and Oxindole > 1606160-40-0
1606160-40-0 | 2H-Indol-2-one, 3-[4-(1,3-benzodioxol-5-yl)-2-oxo-3-buten-1-ylidene]-1,3-dihydro-
CAS No: 1606160-40-0 Catalog No: AG001S2J MDL No:
Product Description
Catalog Number:
AG001S2J
Chemical Name:
2H-Indol-2-one, 3-[4-(1,3-benzodioxol-5-yl)-2-oxo-3-buten-1-ylidene]-1,3-dihydro-
CAS Number:
1606160-40-0
Molecular Formula:
C19H13NO4
Molecular Weight:
319.3108
IUPAC Name:
3-[4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enylidene]-1H-indol-2-one
InChI:
InChI=1S/C19H13NO4/c21-13(7-5-12-6-8-17-18(9-12)24-11-23-17)10-15-14-3-1-2-4-16(14)20-19(15)22/h1-10H,11H2,(H,20,22)
InChI Key:
NNWGHQZOKPDPAG-UHFFFAOYSA-N
SMILES:
O=C(C=C1C(=O)Nc2c1cccc2)C=Cc1ccc2c(c1)OCO2
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.084g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.316g/mol
Monoisotopic Mass:
319.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.6
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