Cas no 69836-72-2 (1,2-Benzenedicarboxylic acid, 3-hydroxy-6-phenoxy-, dimethyl ester)
69836-72-2 structure
Product Name:1,2-Benzenedicarboxylic acid, 3-hydroxy-6-phenoxy-, dimethyl ester
CAS No:69836-72-2
MF:C16H14O6
MW:302.278765201569
CID:391250
PubChem ID:878340
Update Time:2025-04-19
1,2-Benzenedicarboxylic acid, 3-hydroxy-6-phenoxy-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylic acid, 3-hydroxy-6-phenoxy-, dimethyl ester
- dimethyl 3-hydroxy-6-phenoxybenzene-1,2-dicarboxylate
- SR-01000225600-1
- 69836-72-2
- CBMicro_041264
- DTXSID40358138
- Oprea1_738682
- MLS000109503
- AKOS032393825
- SMR000105446
- HMS2306G14
- CHEMBL1329361
- SR-01000225600
- dimethyl 3-hydroxy-6-phenoxyphthalate
- BIM-0041235.P001
-
- Inchi： 1S/C16H14O6/c1-20-15(18)13-11(17)8-9-12(14(13)16(19)21-2)22-10-6-4-3-5-7-10/h3-9,17H,1-2H3
- InChI Key： YWNVDDCXNDAUEN-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C1=CC=C(C(C(=O)OC)=C1C(=O)OC)O
Computed Properties
- Exact Mass: 302.07902
- Monoisotopic Mass: 302.07903816g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 390
- 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: 3.4
- Topological Polar Surface Area: 82.1?2
Experimental Properties
- PSA: 82.06
1,2-Benzenedicarboxylic acid, 3-hydroxy-6-phenoxy-, dimethyl ester Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
69836-72-2 (1,2-Benzenedicarboxylic acid, 3-hydroxy-6-phenoxy-, dimethyl ester) Related Products
- 21905-56-6(Methyl 2-phenoxybenzoate)
- 33528-09-5(Methyl 2-hydroxy-6-methylbenzoate)
- 2905-82-0(Methyl 2-hydroxy-5-methoxybenzoate)
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- 6520-83-8(Ethyl 2-methoxy-6-methylbenzoate)
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- 570-10-5(EVERNIC ACID)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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