Cas no 797756-96-8 (Ethyl (2R)-3-hydroxy-2-(4-methylphenyl)propanoate)
797756-96-8 structure
Product Name:Ethyl (2R)-3-hydroxy-2-(4-methylphenyl)propanoate
CAS No:797756-96-8
MF:C12H16O3
MW:208.253643989563
CID:556637
Update Time:2023-08-02
Ethyl (2R)-3-hydroxy-2-(4-methylphenyl)propanoate Chemical and Physical Properties
Names and Identifiers
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- Benzeneacetic acid, a-(hydroxymethyl)-4-methyl-, ethylester, (aR)-
- Benzeneacetic acid, alpha-(hydroxymethyl)-4-methyl-, ethyl ester, (alphaR)- (9CI)
- Ethyl (2R)-3-hydroxy-2-(4-methylphenyl)propanoate
- (R)-2-(4-Methylphenyl)-3-hydroxypropionic acid ethyl ester
-
- Inchi： 1S/C12H16O3/c1-3-15-12(14)11(8-13)10-6-4-9(2)5-7-10/h4-7,11,13H,3,8H2,1-2H3/t11-/m0/s1
- InChI Key： QKLOHZMJORIGSW-NSHDSACASA-N
- SMILES： O(CC)C([C@@H](CO)C1C=CC(C)=CC=1)=O
Computed Properties
- Exact Mass: 208.11
- Monoisotopic Mass: 208.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 195
- 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: 46.5
Ethyl (2R)-3-hydroxy-2-(4-methylphenyl)propanoate Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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