Cas no 5463-24-1 (Phenyl 4-ethoxycarbonyloxy-3-methoxybenzoate)
5463-24-1 structure
Product Name:Phenyl 4-ethoxycarbonyloxy-3-methoxybenzoate
CAS No:5463-24-1
MF:C17H16O6
MW:316.305345535278
CID:942286
PubChem ID:226350
Update Time:2025-04-19
Phenyl 4-ethoxycarbonyloxy-3-methoxybenzoate Chemical and Physical Properties
Names and Identifiers
-
- Phenyl 4-ethoxycarbonyloxy-3-methoxybenzoate
- 4-Aethoxycarbonyloxy-3-methoxy-benzoesaeure-phenylester
- 4-ethoxycarbonyloxy-3-methoxy-benzoic acid phenyl ester
- AC1L5EPB
- AC1Q61K8
- AG-J-84154
- AR-1L0430
- CTK5A2001
- NSC16730
- phenyl 4-[(ethoxycarbonyl)oxy]-3-methoxybenzoate
- DTXSID60280407
- 5463-24-1
- NSC-16730
-
- Inchi： 1S/C17H16O6/c1-3-21-17(19)23-14-10-9-12(11-15(14)20-2)16(18)22-13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
- InChI Key： ZCQHTGHGGYBPDN-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C(=O)OC2C=CC=CC=2)C=CC=1OC(=O)OCC
Computed Properties
- Exact Mass: 316.09468
- Monoisotopic Mass: 316.094688
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 8
- Complexity: 391
- 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: 71.1
- XLogP3: 3.8
Experimental Properties
- Density: 1.229
- Boiling Point: 475.7°C at 760 mmHg
- Flash Point: 211°C
- Refractive Index: 1.552
- PSA: 71.06
- LogP: 3.44970
Phenyl 4-ethoxycarbonyloxy-3-methoxybenzoate Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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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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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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