Cas no 211429-78-6 (Tert-butyl 3,4,5-trimethoxybenzoate)
211429-78-6 structure
Product Name:Tert-butyl 3,4,5-trimethoxybenzoate
CAS No:211429-78-6
MF:C14H20O5
MW:268.305604934692
CID:2663089
PubChem ID:15335498
Update Time:2024-02-28
Tert-butyl 3,4,5-trimethoxybenzoate Chemical and Physical Properties
Names and Identifiers
-
- tert-butyl 3,4,5-trimethoxybenzoate
- 3,4,5-Trimethoxybenzoic acid tert-butyl ester
- Tert-butyl 3,4,5-trimethoxybenzoate
-
- Inchi： 1S/C14H20O5/c1-14(2,3)19-13(15)9-7-10(16-4)12(18-6)11(8-9)17-5/h7-8H,1-6H3
- InChI Key： HMCQOJANOGVMFO-UHFFFAOYSA-N
- SMILES： O(C(C1C=C(C(=C(C=1)OC)OC)OC)=O)C(C)(C)C
Computed Properties
- Exact Mass: 268.13107373g/mol
- Monoisotopic Mass: 268.13107373g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 283
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 54
- XLogP3: 2.7
Tert-butyl 3,4,5-trimethoxybenzoate Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
211429-78-6 (Tert-butyl 3,4,5-trimethoxybenzoate) Related Products
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