Cas no 331970-24-2 (2-Octanone, 4-hydroxy-,(4S)-)
2-Octanone, 4-hydroxy-,(4S)- structure
Product Name:2-Octanone, 4-hydroxy-,(4S)-
CAS No:331970-24-2
MF:C8H16O2
MW:144.211442947388
CID:301780
Update Time:2024-01-27
2-Octanone, 4-hydroxy-,(4S)- Chemical and Physical Properties
Names and Identifiers
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- 2-Octanone, 4-hydroxy-,(4S)-
- (4S)-4-Hydroxy-2-octanone
- 2-Octanone, 4-hydroxy-, (4S)- (9CI)
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- Inchi: 1S/C8H16O2/c1-3-4-5-8(10)6-7(2)9/h8,10H,3-6H2,1-2H3/t8-/m0/s1
- InChI Key: DGJGBYDRZGFUPX-QMMMGPOBSA-N
- SMILES: CC(=O)C[C@@H](O)CCCC
Computed Properties
- Exact Mass: 144.115
- Monoisotopic Mass: 144.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 99.4
- 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
- Topological Polar Surface Area: 37.3A^2
2-Octanone, 4-hydroxy-,(4S)- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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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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