Cas no 61838-78-6 (1-Propanone, 2-methyl-1-(1-naphthalenyl)-)
61838-78-6 structure
Product Name:1-Propanone, 2-methyl-1-(1-naphthalenyl)-
CAS No:61838-78-6
MF:C14H14O
MW:198.260364055634
CID:464950
PubChem ID:12294683
Update Time:2025-04-19
1-Propanone, 2-methyl-1-(1-naphthalenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanone, 2-methyl-1-(1-naphthalenyl)-
- 2-methyl-1-naphthalen-1-ylpropan-1-one
- 61838-78-6
- Naphthylisopropylketon
- 2-METHYL-1-(1-NAPHTHYL)-1-PROPANONE
- 2-methyl-1-(1-naphthalenyl)-1-propanone
- 2-Methyl-1-naphthalen-1-yl-propan-1-one
- DIANJNDWLUCSDF-UHFFFAOYSA-N
- SCHEMBL5716814
- DTXSID40485352
- AKOS012008337
-
- Inchi： 1S/C14H14O/c1-10(2)14(15)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3
- InChI Key： DIANJNDWLUCSDF-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=C2C=CC=CC=12)C(C)C
Computed Properties
- Exact Mass: 198.10452
- Monoisotopic Mass: 198.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 232
- 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: 3.9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
1-Propanone, 2-methyl-1-(1-naphthalenyl)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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