Cas no 4619-49-2 (2-{[(2-Methylphenyl)methoxy]carbonyl}benzoate)
![2-{[(2-Methylphenyl)methoxy]carbonyl}benzoate structure](https://ossimg.kuujia.com/scimg/5000/4619-49-2x500.png)
4619-49-2 structure
Product Name:2-{[(2-Methylphenyl)methoxy]carbonyl}benzoate
CAS No:4619-49-2
MF:C16H13O4
MW:269.272024869919
CID:2666771
PubChem ID:71361639
Update Time:2025-04-21
2-{[(2-Methylphenyl)methoxy]carbonyl}benzoate Chemical and Physical Properties
Names and Identifiers
-
- 2-[(2-methylphenyl)methoxycarbonyl]benzoate
- Phthalic acid hydrogen 1-(o-methylbenzyl) ester
- 2-{[(2-Methylphenyl)methoxy]carbonyl}benzoate
- 4619-49-2
- DTXSID60785306
-
- Inchi： 1S/C16H14O4/c1-11-6-2-3-7-12(11)10-20-16(19)14-9-5-4-8-13(14)15(17)18/h2-9H,10H2,1H3,(H,17,18)/p-1
- InChI Key： KVSMKDGBGJGRRY-UHFFFAOYSA-M
- SMILES： O(C(C1C=CC=CC=1C(=O)[O-])=O)CC1C=CC=CC=1C
Computed Properties
- Exact Mass: 269.08138389Da
- Monoisotopic Mass: 269.08138389Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 347
- 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: 3.8
- Topological Polar Surface Area: 66.4?2
2-{[(2-Methylphenyl)methoxy]carbonyl}benzoate Related Literature
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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
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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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
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