Cas no 67113-14-8 (Cyclopentanone, 2-methyl-2-phenyl-, (S)-)
67113-14-8 structure
Product Name:Cyclopentanone, 2-methyl-2-phenyl-, (S)-
CAS No:67113-14-8
MF:C12H14O
MW:174.238963603973
CID:395356
PubChem ID:40544574
Update Time:2025-04-19
Cyclopentanone, 2-methyl-2-phenyl-, (S)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanone, 2-methyl-2-phenyl-, (S)-
- (2S)-2-methyl-2-phenylcyclopentan-1-one
- DTXSID10654492
- 67113-14-8
-
- Inchi： 1S/C12H14O/c1-12(9-5-8-11(12)13)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3/t12-/m0/s1
- InChI Key： TYRYXIDSYINSHM-LBPRGKRZSA-N
- SMILES： O=C1CCC[C@@]1(C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 174.10452
- Monoisotopic Mass: 174.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 203
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Cyclopentanone, 2-methyl-2-phenyl-, (S)- Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
67113-14-8 (Cyclopentanone, 2-methyl-2-phenyl-, (S)-) Related Products
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