Cas no 441356-60-1 (Benzeneacetic acid, 5-ethoxy-2-hydroxy-, methyl ester (9CI))
441356-60-1 structure
Product Name:Benzeneacetic acid, 5-ethoxy-2-hydroxy-, methyl ester (9CI)
CAS No:441356-60-1
MF:C11H14O4
MW:210.226463794708
CID:1022787
PubChem ID:17861247
Update Time:2025-04-20
Benzeneacetic acid, 5-ethoxy-2-hydroxy-, methyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, 5-ethoxy-2-hydroxy-, methyl ester (9CI)
- 441356-60-1
- methyl 2-(5-ethoxy-2-hydroxyphenyl)acetate
- BICTVKWPEXUVBP-UHFFFAOYSA-N
- methyl 2-(2-hydroxy-5-ethoxyphenyl)acetate
- SCHEMBL4031766
-
- Inchi： 1S/C11H14O4/c1-3-15-9-4-5-10(12)8(6-9)7-11(13)14-2/h4-6,12H,3,7H2,1-2H3
- InChI Key： BICTVKWPEXUVBP-UHFFFAOYSA-N
- SMILES： O(CC)C1=CC=C(C(=C1)CC(=O)OC)O
Computed Properties
- Exact Mass: 210.08920892g/mol
- Monoisotopic Mass: 210.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 205
- 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: 1.7
- Topological Polar Surface Area: 55.8?2
Benzeneacetic acid, 5-ethoxy-2-hydroxy-, methyl ester (9CI) Related Literature
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
441356-60-1 (Benzeneacetic acid, 5-ethoxy-2-hydroxy-, methyl ester (9CI)) Related Products
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