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1-Acetyl-3-indolinone

CAT: 0024-sc-297764ASize: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-297764ASize:1 g
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CAS Number
16800-68-3

Chemical Information

1-Acetyl-1,2-dihydro-3H-indol-3-one
CAS Number16800-68-3
PubChem CID538819
IUPAC Name1-acetyl-2H-indol-3-one
Molecular FormulaC10H9NO2
Molecular Weight175.18
XLogP0.9
Topological Polar Surface Area37.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity249
SMILES
CC(=O)N1CC(=O)C2=CC=CC=C21
InChI
InChI=1S/C10H9NO2/c1-7(12)11-6-10(13)8-4-2-3-5-9(8)11/h2-5H,6H2,1H3
InChIKey
AUMJJQZNOVOCGY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Acetyl-1,2-dihydro-3H-indol-3-one
CAS: 16800-68-3
CID: 538819
Formula: C10H9NO2
MW: 175.18
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight175.18
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass175.063328530
Monoisotopic Mass175.063328530
Topological Polar Surface Area37.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity249
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
260990-011-Acetyl-3-indolinone
228605-011-Acetyl-3-indolinone 98+% (NMR)
122315-01Indolinone for Synthesis [1- (2,6-dichlorophenyl) -2-indolinone]
15523262Oxindole (2-Indolinone)
434880-015-Amino-2-indolinone
OR74243-011- (2,6-Dichlorophenyl) -2-indolinone
abx182802-011-(2,6-Dichlorophenyl)-2-indolinone
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