Cas no 663605-21-8 (1,2-Benzenediol,4,5-dimethyl-,monoacetate(9CI))
663605-21-8 structure
Product Name:1,2-Benzenediol,4,5-dimethyl-,monoacetate(9CI)
CAS No:663605-21-8
MF:C10H12O3
MW:180.200483322144
CID:1016878
Update Time:2024-06-12
1,2-Benzenediol,4,5-dimethyl-,monoacetate(9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,2-Benzenediol,4,5-dimethyl-,monoacetate(9CI)
- 1,2-Benzenediol, 4,5-dimethyl-, 1-acetate
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- Inchi： 1S/C10H12O3/c1-6-4-9(12)10(5-7(6)2)13-8(3)11/h4-5,12H,1-3H3
- InChI Key： MZNKMTDBUUXZES-UHFFFAOYSA-N
- SMILES： C1(OC(=O)C)=CC(C)=C(C)C=C1O
Computed Properties
- Exact Mass: 198.08922
Experimental Properties
- PSA: 77.76
1,2-Benzenediol,4,5-dimethyl-,monoacetate(9CI) Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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