Cas no 161512-00-1 (Methanone, [(2S,3R)-3-methyloxiranyl]phenyl-)
![Methanone, [(2S,3R)-3-methyloxiranyl]phenyl- structure](https://ossimg.kuujia.com/scimg/162000/161512-00-1x500.png)
161512-00-1 structure
Product Name:Methanone, [(2S,3R)-3-methyloxiranyl]phenyl-
CAS No:161512-00-1
MF:C10H10O2
MW:162.185203075409
CID:2780409
PubChem ID:10329591
Update Time:2024-03-01
Methanone, [(2S,3R)-3-methyloxiranyl]phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, [(2S,3R)-3-methyloxiranyl]phenyl-
- 2alpha-Benzoyl-3beta-methyloxirane
-
- Inchi： 1S/C10H10O2/c1-7-10(12-7)9(11)8-5-3-2-4-6-8/h2-7,10H,1H3/t7-,10+/m1/s1
- InChI Key： PJQWDBYGSUMUBT-XCBNKYQSSA-N
- SMILES： O1[C@H](C)[C@H]1C(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 162.068079557g/mol
- Monoisotopic Mass: 162.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 182
- 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: 1.7
- Topological Polar Surface Area: 29.6
Methanone, [(2S,3R)-3-methyloxiranyl]phenyl- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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2. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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