Cas no 545386-91-2 ((2R)-Hydroxy(mesityl)acetonitrile)
545386-91-2 structure
Product Name:(2R)-Hydroxy(mesityl)acetonitrile
CAS No:545386-91-2
MF:C11H13NO
MW:175.227022886276
CID:941836
Update Time:2023-08-02
(2R)-Hydroxy(mesityl)acetonitrile Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetonitrile, -alpha--hydroxy-2,4,6-trimethyl-, (-alpha-R)- (9CI)
- (2R)-Hydroxy(mesityl)acetonitrile
-
- Inchi： 1S/C11H13NO/c1-7-4-8(2)11(9(3)5-7)10(13)6-12/h4-5,10,13H,1-3H3/t10-/m0/s1
- InChI Key： OJPHNKJOROJNHL-JTQLQIEISA-N
- SMILES： O[C@@H](C#N)C1C(C)=CC(C)=CC=1C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 205
- Topological Polar Surface Area: 44
(2R)-Hydroxy(mesityl)acetonitrile Related Literature
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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