Cas no 292611-99-5 (2-Pentanone,3-hydroxy-3-methyl-, (3S)-)
292611-99-5 structure
Product Name:2-Pentanone,3-hydroxy-3-methyl-, (3S)-
CAS No:292611-99-5
MF:C6H12O2
MW:116.158282279968
CID:249112
Update Time:2024-01-26
2-Pentanone,3-hydroxy-3-methyl-, (3S)- Chemical and Physical Properties
Names and Identifiers
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- 2-Pentanone,3-hydroxy-3-methyl-, (3S)-
- 2-Pentanone, 3-hydroxy-3-methyl-, (3S)- (9CI)
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- Inchi： 1S/C6H12O2/c1-4-6(3,8)5(2)7/h8H,4H2,1-3H3/t6-/m0/s1
- InChI Key： KHCUSEDRQWYNDS-LURJTMIESA-N
- SMILES： CC(=O)[C@](O)(C)CC
Computed Properties
- Exact Mass: 116.08376
- Monoisotopic Mass: 116.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 98.7
- 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
Experimental Properties
- PSA: 37.3
2-Pentanone,3-hydroxy-3-methyl-, (3S)- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
292611-99-5 (2-Pentanone,3-hydroxy-3-methyl-, (3S)-) Related Products
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