Cas no 106353-47-3 (2-Hexanone, 4-hydroxy-,(4R)-)
2-Hexanone, 4-hydroxy-,(4R)- structure
Product Name:2-Hexanone, 4-hydroxy-,(4R)-
CAS No:106353-47-3
MF:C6H12O2
MW:116.158282279968
CID:127091
PubChem ID:10654206
Update Time:2025-04-18
2-Hexanone, 4-hydroxy-,(4R)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Hexanone, 4-hydroxy-,(4R)-
- 2-Hexanone, 4-hydroxy-, (4R)- (9CI)
- (R)-4-Hydroxy-2-hexanone
- 2-Hexanone,4-hydroxy-, (R)-
- (4R)-4-hydroxyhexan-2-one
- 106353-47-3
- SCHEMBL12341066
-
- Inchi： 1S/C6H12O2/c1-3-6(8)4-5(2)7/h6,8H,3-4H2,1-2H3/t6-/m1/s1
- InChI Key： ODWYTDVNWFBCLV-ZCFIWIBFSA-N
- SMILES： O[C@@H](CC(C)=O)CC
Computed Properties
- Exact Mass: 116.08376
- Monoisotopic Mass: 116.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 78.6
- 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: 0.2
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Hexanone, 4-hydroxy-,(4R)- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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