Cas no 117290-46-7 (Benzenemethanol, a-methyl-, propanoate, (1S)-)
117290-46-7 structure
Product Name:Benzenemethanol, a-methyl-, propanoate, (1S)-
CAS No:117290-46-7
MF:C11H14O2
MW:178.227663516998
CID:1206605
Update Time:2024-08-02
Benzenemethanol, a-methyl-, propanoate, (1S)- Chemical and Physical Properties
Names and Identifiers
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- Benzenemethanol, a-methyl-, propanoate, (1S)-
- Benzenemethanol, α-methyl-, 1-propanoate, (αS)-
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- Inchi： 1S/C11H14O2/c1-3-11(12)13-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/t9-/m0/s1
- InChI Key： WCIQNYOXLZQQMU-VIFPVBQESA-N
- SMILES： C1([C@@H](OC(=O)CC)C)=CC=CC=C1
Computed Properties
- Exact Mass: 178.09942
Experimental Properties
- Density: 1.012±0.06 g/cm3(Predicted)
- Boiling Point: 229.5±9.0 °C(Predicted)
- PSA: 26.3
Benzenemethanol, a-methyl-, propanoate, (1S)- Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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