Cas no 61478-19-1 (Cyclopentanone, 3-(2-hydroxyethyl)-)
61478-19-1 structure
Product Name:Cyclopentanone, 3-(2-hydroxyethyl)-
CAS No:61478-19-1
MF:C7H12O2
MW:128.168982505798
CID:477920
PubChem ID:12892865
Update Time:2025-04-19
Cyclopentanone, 3-(2-hydroxyethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanone, 3-(2-hydroxyethyl)-
- 3-(2-hydroxyethyl)cyclopentan-1-one
- 3-(2-hydroxyethyl)cyclopentanone
- 3-(2-hydroxy-ethyl)-cyclopentan-1-one
- SCHEMBL53075
- JWFAAVYVUOVXIC-UHFFFAOYSA-N
- DTXSID80512454
- 61478-19-1
-
- Inchi： 1S/C7H12O2/c8-4-3-6-1-2-7(9)5-6/h6,8H,1-5H2
- InChI Key： JWFAAVYVUOVXIC-UHFFFAOYSA-N
- SMILES： O=C1CCC(CCO)C1
Computed Properties
- Exact Mass: 128.08376
- Monoisotopic Mass: 128.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 110
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Cyclopentanone, 3-(2-hydroxyethyl)- Related Literature
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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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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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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