Cas no 110064-65-8 (Benzoic acid, 2,4-dihydroxy-6-methyl-,2-carboxy-5-hydroxy-3-methylphenyl ester)
110064-65-8 structure
Product Name:Benzoic acid, 2,4-dihydroxy-6-methyl-,2-carboxy-5-hydroxy-3-methylphenyl ester
CAS No:110064-65-8
MF:C16H14O7
MW:318.278165340424
CID:1190296
Update Time:2024-08-02
Benzoic acid, 2,4-dihydroxy-6-methyl-,2-carboxy-5-hydroxy-3-methylphenyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2,4-dihydroxy-6-methyl-,2-carboxy-5-hydroxy-3-methylphenyl ester
- isoelecanoric acid
- Benzoic acid, 2,4-dihydroxy-6-methyl-, 2-carboxy-5-hydroxy-3-methylphenyl ester
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- Inchi： 1S/C16H14O7/c1-7-3-9(17)5-11(19)13(7)16(22)23-12-6-10(18)4-8(2)14(12)15(20)21/h3-6,17-19H,1-2H3,(H,20,21)
- InChI Key： DANZDSKFOPOJCC-UHFFFAOYSA-N
- SMILES： CC1C(C(=O)O)=C(OC(C2C(O)=CC(O)=CC=2C)=O)C=C(O)C=1
Computed Properties
- Exact Mass: 318.07392
Experimental Properties
- Density: 1.492±0.06 g/cm3(Predicted)
- Boiling Point: 635.7±55.0 °C(Predicted)
- PSA: 124.29
- pka: 1.66±0.25(Predicted)
Benzoic acid, 2,4-dihydroxy-6-methyl-,2-carboxy-5-hydroxy-3-methylphenyl ester Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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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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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
110064-65-8 (Benzoic acid, 2,4-dihydroxy-6-methyl-,2-carboxy-5-hydroxy-3-methylphenyl ester) Related Products
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