Cas no 138764-20-2 (5,6,7,8-tetrahydro-5-oxonaphthalene-1-carbonitrile)
138764-20-2 structure
Product Name:5,6,7,8-tetrahydro-5-oxonaphthalene-1-carbonitrile
CAS No:138764-20-2
MF:C11H9NO
MW:171.195262670517
CID:105956
PubChem ID:10931873
Update Time:2025-04-18
5,6,7,8-tetrahydro-5-oxonaphthalene-1-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 5,6,7,8-tetrahydro-5-oxonaphthalene-1-carbonitrile
- 5-oxo-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
- 5-oxo-7,8-dihydro-6H-naphthalene-1-carbonitrile
- 5-cyano-1-tetralone
- 5-cyanotetralone
- A807429
- ACMC-1C1WV
- AG-D-78282
- CTK0H0504
- I14-32927
- SureCN1872875
- 138764-20-2
- VIHLGHRPFVEQBU-UHFFFAOYSA-N
- FT-0717361
- DTXSID30448739
- 5-cyano-l-tetralone
- AKOS006315988
- SCHEMBL1872875
-
- MDL： MFCD11559061
- Inchi： 1S/C11H9NO/c12-7-8-3-1-5-10-9(8)4-2-6-11(10)13/h1,3,5H,2,4,6H2
- InChI Key： VIHLGHRPFVEQBU-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC=C(C#N)C=2CCC1
Computed Properties
- Exact Mass: 171.06847
- Monoisotopic Mass: 171.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 263
- 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: 2.2
- Topological Polar Surface Area: 40.9?2
Experimental Properties
- PSA: 40.86
5,6,7,8-tetrahydro-5-oxonaphthalene-1-carbonitrile Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
138764-20-2 (5,6,7,8-tetrahydro-5-oxonaphthalene-1-carbonitrile) Related Products
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