Cas no 152519-33-0 (3-Hexanone, 2-hydroxy-,(2S)-)
3-Hexanone, 2-hydroxy-,(2S)- structure
Product Name:3-Hexanone, 2-hydroxy-,(2S)-
CAS No:152519-33-0
MF:C6H12O2
MW:116.158282279968
CID:99209
PubChem ID:11073388
Update Time:2025-04-18
3-Hexanone, 2-hydroxy-,(2S)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Hexanone, 2-hydroxy-,(2S)-
- 3-Hexanone, 2-hydroxy-, (2S)- (9CI)
- LMFA12000076
- (2S)-2-HYDROXYHEXAN-3-ONE
- 152519-33-0
- 2S-Hydroxyhexan-3-one
- (S)-2-Hydroxy-hexan-3-one
- (S)-2-Hydroxy-3-hexanone
- CHEBI:137758
- SCHEMBL1820884
-
- Inchi： 1S/C6H12O2/c1-3-4-6(8)5(2)7/h5,7H,3-4H2,1-2H3/t5-/m0/s1
- InChI Key： ZWBUSAWJHMPOEJ-YFKPBYRVSA-N
- SMILES： O[C@@H](C)C(CCC)=O
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: 0.5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
3-Hexanone, 2-hydroxy-,(2S)- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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