Cas no 148014-39-5 (Benzoic acid, 4-hydroxy-2-methoxy-3,5,6-trimethyl-, 4-carboxy-3-methoxy-2,5,6-trimethylphenyl ester)
148014-39-5 structure
Product Name:Benzoic acid, 4-hydroxy-2-methoxy-3,5,6-trimethyl-, 4-carboxy-3-methoxy-2,5,6-trimethylphenyl ester
CAS No:148014-39-5
MF:C22H26O7
MW:402.438483821792
CID:1319352
Update Time:2024-03-01
Benzoic acid, 4-hydroxy-2-methoxy-3,5,6-trimethyl-, 4-carboxy-3-methoxy-2,5,6-trimethylphenyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-hydroxy-2-methoxy-3,5,6-trimethyl-,4-carboxy-3-methoxy-2,5,6-trimethylphenyl ester
- Benzoic acid, 4-hydroxy-2-methoxy-3,5,6-trimethyl-, 4-carboxy-3-methoxy-2,5,6-trimethylphenyl ester
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- Inchi： 1S/C22H26O7/c1-9-11(3)17(23)13(5)19(27-7)16(9)22(26)29-18-12(4)10(2)15(21(24)25)20(28-8)14(18)6/h23H,1-8H3,(H,24,25)
- InChI Key： MUQKNNNEHVXLOL-UHFFFAOYSA-N
- SMILES： C(OC1=C(C)C(C)=C(C(O)=O)C(OC)=C1C)(=O)C1=C(C)C(C)=C(O)C(C)=C1OC
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 29
- XLogP3: 2.795
Benzoic acid, 4-hydroxy-2-methoxy-3,5,6-trimethyl-, 4-carboxy-3-methoxy-2,5,6-trimethylphenyl ester Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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