Cas no 73747-53-2 (1-(1-oxopropyl)-1H-indole)
1-(1-oxopropyl)-1H-indole structure
Product Name:1-(1-oxopropyl)-1H-indole
CAS No:73747-53-2
MF:C11H11NO
MW:173.211142778397
CID:862437
PubChem ID:52373
Update Time:2025-04-19
1-(1-oxopropyl)-1H-indole Chemical and Physical Properties
Names and Identifiers
-
- 1-(1-oxopropyl)-1H-indole
- 1-indol-1-ylpropan-1-one
- NSC82325
- 1-PROPANONE, 1-(1H-INDOL-1-YL)-
- KETONE, INDOL-1-YL ETHYL
- Indole, 1-propionyl-
- 1-(1H-indol-1-yl)-1-Propanone
- 1-(1H-Indol-1-yl)propan-1-one
- SCHEMBL2997057
- CCG-40471
- 73747-53-2
- DTXSID20224084
- 4-20-00-03183 (Beilstein Handbook Reference)
- EINECS 277-583-5
- N-Propionylindole
- BRN 0133478
- 1H-Indole, 1-(1-oxopropyl)-
- NSC 82325
- NSC-82325
- UNII-N20PKL6AON
- AKOS024323113
- NS00037552
- 1-Propionylindole
- N20PKL6AON
- DTXCID20146575
- XBYKGSPCVQTMGF-UHFFFAOYSA-N
- 1H-Indole, 1-(1-oxopropyl)-(9CI)
-
- Inchi： 1S/C11H11NO/c1-2-11(13)12-8-7-9-5-3-4-6-10(9)12/h3-8H,2H2,1H3
- InChI Key： XBYKGSPCVQTMGF-UHFFFAOYSA-N
- SMILES： O=C(CC)N1C=CC2C=CC=CC1=2
Computed Properties
- Exact Mass: 173.08413
- Monoisotopic Mass: 173.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 202
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 22?2
Experimental Properties
- Density: 1.0898 (rough estimate)
- Boiling Point: 303.86°C (rough estimate)
- Refractive Index: 1.4950 (estimate)
- PSA: 22
1-(1-oxopropyl)-1H-indole Related Literature
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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