Cas no 63315-69-5 (2-Pentanone, 4-hydroxy-, (4R)-)
63315-69-5 structure
Product Name:2-Pentanone, 4-hydroxy-, (4R)-
CAS No:63315-69-5
MF:C5H10O2
MW:102.131701946259
CID:426830
PubChem ID:10034590
Update Time:2025-04-19
2-Pentanone, 4-hydroxy-, (4R)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentanone, 4-hydroxy-, (4R)-
- SCHEMBL3364238
- 63315-69-5
- (R)-4-Hydroxy-2-pentanone
- MFCD24688149
- (4R)-4-HYDROXYPENTAN-2-ONE
- (R,S)-4-Hydroxy-pentan-2-one
-
- Inchi： 1S/C5H10O2/c1-4(6)3-5(2)7/h4,6H,3H2,1-2H3/t4-/m1/s1
- InChI Key： PCYZZYAEGNVNMH-SCSAIBSYSA-N
- SMILES： O[C@H](C)CC(C)=O
Computed Properties
- Exact Mass: 102.0681
- Monoisotopic Mass: 102.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 68.5
- 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: -0.4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Pentanone, 4-hydroxy-, (4R)- Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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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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