Cas no 156742-99-3 (Ethanone,1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-, rel-)
![Ethanone,1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-, rel- structure](https://ossimg.kuujia.com/scimg/157000/156742-99-3x500.png)
156742-99-3 structure
Product Name:Ethanone,1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-, rel-
CAS No:156742-99-3
MF:C6H10O2
MW:114.142402172089
CID:107579
PubChem ID:15638118
Update Time:2025-04-18
Ethanone,1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-, rel- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-, rel-
- Ethanone, 1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-, rel- (9CI)
- SCHEMBL2186293
- 156742-99-3
- UDEQWTRHJXJBOU-WDSKDSINSA-N
- 1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]ethanone
- trans-1-[2-(hydroxymethyl)cyclopropyl]ethanone
-
- Inchi： 1S/C6H10O2/c1-4(8)6-2-5(6)3-7/h5-7H,2-3H2,1H3/t5-,6-/m0/s1
- InChI Key： UDEQWTRHJXJBOU-WDSKDSINSA-N
- SMILES： OC[C@@H]1C[C@H]1C(C)=O
Computed Properties
- Exact Mass: 114.068079557g/mol
- Monoisotopic Mass: 114.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 109
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.4
- Topological Polar Surface Area: 37.3?2
Ethanone,1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-, rel- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
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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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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