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1-ACETYLINDOLINE

CAT: 0013-GTR19259145-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19259145-02Size:5 g
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Description
1-ACETYLINDOLINE, with CAS No. 16078-30-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 1-ACETYLINDOLINE provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
16078-30-1
Purity
99.83% (May vary between batches)
Smiles
CC (=O) N1CCC2=CC=CC=C12
Molecular Formula
C10H11NO
Molecular Weight
161.204
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(2,3-Dihydro-1H-indol-1-yl)ethan-1-one
CAS Number16078-30-1
PubChem CID27673
IUPAC Name1-(2,3-dihydroindol-1-yl)ethanone
Molecular FormulaC10H11NO
Molecular Weight161.20
XLogP1.3
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity190
SMILES
CC(=O)N1CCC2=CC=CC=C21
InChI
InChI=1S/C10H11NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3
InChIKey
RNTCWULFNYNFGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,3-Dihydro-1H-indol-1-yl)ethan-1-one
CAS: 16078-30-1
CID: 27673
Formula: C10H11NO
MW: 161.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight161.20
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass161.084063974
Monoisotopic Mass161.084063974
Topological Polar Surface Area20.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity190
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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