Cas no 524674-01-9 (1,3,5-Benzenetricarboxylic acid, dimethyl phenyl ester)
524674-01-9 structure
Product Name:1,3,5-Benzenetricarboxylic acid, dimethyl phenyl ester
CAS No:524674-01-9
MF:C17H14O6
MW:314.289465427399
CID:359554
PubChem ID:71365623
Update Time:2025-04-19
1,3,5-Benzenetricarboxylic acid, dimethyl phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Benzenetricarboxylic acid, dimethyl phenyl ester
- 1-O,5-O-dimethyl 3-O-phenyl benzene-1,3,5-tricarboxylate
- 1,3-Dimethyl 5-phenyl benzene-1,3,5-tricarboxylate
- 524674-01-9
- DTXSID80789023
-
- Inchi： 1S/C17H14O6/c1-21-15(18)11-8-12(16(19)22-2)10-13(9-11)17(20)23-14-6-4-3-5-7-14/h3-10H,1-2H3
- InChI Key： UPPQJFQXMQIHAD-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C(C1C=C(C(=O)OC)C=C(C(=O)OC)C=1)=O
Computed Properties
- Exact Mass: 314.07902
- Monoisotopic Mass: 314.07903816g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 7
- Complexity: 416
- 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
- XLogP3: 3.3
- Topological Polar Surface Area: 78.9?2
Experimental Properties
- PSA: 78.9
1,3,5-Benzenetricarboxylic acid, dimethyl phenyl ester Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
524674-01-9 (1,3,5-Benzenetricarboxylic acid, dimethyl phenyl ester) Related Products
- 744-45-6(Diphenyl isophthalate)
- 93-44-7(naphthalen-2-yl benzoate)
- 93-99-2(Phenyl benzoate)
- 94-30-4(Ethyl 4-methoxybenzoate)
- 94-01-9(1,3-Dibenzoyloxybenzene)
- 2345-34-8(4-Acetoxybenzoic acid)
- 2150-37-0(Methyl 3,5-dimethoxybenzoate)
- 5368-81-0(Methyl 3-methoxybenzoate)
- 121-98-2(Methyl 4-methoxybenzoate)
- 1486-51-7(4-Benzyloxybenzoic acid)
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