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96923-50-1 | 3H-Indol-3-one, 2-[(3,4-dimethoxyphenyl)methylene]-1,2-dihydro-
CAS No: 96923-50-1 Catalog No: AG005SGZ MDL No:
Product Description
Catalog Number:
AG005SGZ
Chemical Name:
3H-Indol-3-one, 2-[(3,4-dimethoxyphenyl)methylene]-1,2-dihydro-
CAS Number:
96923-50-1
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
IUPAC Name:
2-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-3-one
InChI:
InChI=1S/C17H15NO3/c1-20-15-8-7-11(10-16(15)21-2)9-14-17(19)12-5-3-4-6-13(12)18-14/h3-10,18H,1-2H3
InChI Key:
MTTPXBMDKVJFRX-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C=C1Nc2c(C1=O)cccc2
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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