Cas no 68491-55-4 (4-Acetoxy-2,3,6-trimethylphenol)
68491-55-4 structure
Product Name:4-Acetoxy-2,3,6-trimethylphenol
CAS No:68491-55-4
MF:C11H14O3
MW:194.227063655853
CID:393129
Update Time:2023-08-03
4-Acetoxy-2,3,6-trimethylphenol Chemical and Physical Properties
Names and Identifiers
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- 1,4-Benzenediol, 2,3,5-trimethyl-, 1-acetate
- trimethylhydroquinone acetate
- BMHNIBQPXLPWMA-UHFFFAOYSA-N
- 4-acetoxy-2,3,6-trimethylphenol
- 4-Acetoxy-2,3,6-trimethylphenol
-
- Inchi： 1S/C11H14O3/c1-6-5-10(14-9(4)12)7(2)8(3)11(6)13/h5,13H,1-4H3
- InChI Key： BMHNIBQPXLPWMA-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1=CC(C)=C(C(C)=C1C)O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 215
- XLogP3: 1.8
- Topological Polar Surface Area: 46.5
4-Acetoxy-2,3,6-trimethylphenol Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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