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Home > Indoles and Oxindole > 576-15-8
576-15-8 | 1-(1H-Indol-1-yl)ethanone
CAS No: 576-15-8 Catalog No: AG00IA99 MDL No:MFCD00038005
Product Description
Catalog Number:
AG00IA99
Chemical Name:
1-(1H-Indol-1-yl)ethanone
CAS Number:
576-15-8
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD00038005
IUPAC Name:
1-indol-1-ylethanone
InChI:
InChI=1S/C10H9NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-7H,1H3
InChI Key:
UUCUQJHYUPXDHN-UHFFFAOYSA-N
SMILES:
CC(=O)n1ccc2c1cccc2
EC Number:
209-396-1
NSC Number:
521758
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Synthesis of indoles via 6pi-electrocyclic ring closures of trienecarbamates. | Journal of the American Chemical Society 20060419 |
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