Cas no 220199-90-6 (Cyclohexanone,2-(hydroxymethyl)-, (2S)-)
220199-90-6 structure
Product Name:Cyclohexanone,2-(hydroxymethyl)-, (2S)-
CAS No:220199-90-6
MF:C7H12O2
MW:128.168982505798
CID:243856
PubChem ID:11147724
Update Time:2025-04-19
Cyclohexanone,2-(hydroxymethyl)-, (2S)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanone,2-(hydroxymethyl)-, (2S)-
- (S)-2-HYDROXYMETHYLCYCLOHEXANONE
- (S)-2-Hydroxymethyl-cyclohexanone
- (S)-2-(hydroxymethyl)cyclohexanone
- (2S)-2-(HYDROXYMETHYL)CYCLOHEXAN-1-ONE
- 220199-90-6
- AKOS006309764
- SCHEMBL15048937
- J-014425
- SIGZQOSGZJNAKB-LURJTMIESA-N
-
- MDL： MFCD11053645
- Inchi： 1S/C7H12O2/c8-5-6-3-1-2-4-7(6)9/h6,8H,1-5H2/t6-/m0/s1
- InChI Key： SIGZQOSGZJNAKB-LURJTMIESA-N
- SMILES： O=C1CCCC[C@H]1CO
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: 1
- Complexity: 110
- 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: 0.8
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Cyclohexanone,2-(hydroxymethyl)-, (2S)- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
220199-90-6 (Cyclohexanone,2-(hydroxymethyl)-, (2S)-) Related Products
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