Cas no 819812-59-4 (Benzeneacetic acid,2-ethyl-3,5-dihydroxy-, methyl ester)
819812-59-4 structure
Product Name:Benzeneacetic acid,2-ethyl-3,5-dihydroxy-, methyl ester
CAS No:819812-59-4
MF:C11H14O4
MW:210.226463794708
CID:715680
PubChem ID:45093151
Update Time:2025-04-19
Benzeneacetic acid,2-ethyl-3,5-dihydroxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid,2-ethyl-3,5-dihydroxy-, methyl ester
- Benzeneacetic acid, 2-ethyl-3,5-dihydroxy-, methyl ester (9CI)
- 819812-59-4
- SCHEMBL2861715
- AUHWSGNARPEYAN-UHFFFAOYSA-N
- Methyl (2-ethyl-3,5-dihydroxyphenyl)acetate
- Methyl 2-ethyl-3,5-dihydroxyphenylacetate
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- Inchi： 1S/C11H14O4/c1-3-9-7(5-11(14)15-2)4-8(12)6-10(9)13/h4,6,12-13H,3,5H2,1-2H3
- InChI Key： AUHWSGNARPEYAN-UHFFFAOYSA-N
- SMILES： OC1=CC(=CC(CC(=O)OC)=C1CC)O
Computed Properties
- Exact Mass: 210.089
- Monoisotopic Mass: 210.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 217
- 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: 66.8A^2
- XLogP3: 1.8
Benzeneacetic acid,2-ethyl-3,5-dihydroxy-, methyl ester Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
819812-59-4 (Benzeneacetic acid,2-ethyl-3,5-dihydroxy-, methyl ester) Related Products
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