Cas no 869347-26-2 (Ethyl 3-ethoxyphenylacetate)
Ethyl 3-ethoxyphenylacetate structure
Product Name:Ethyl 3-ethoxyphenylacetate
CAS No:869347-26-2
MF:C12H16O3
MW:208.253643989563
CID:2108713
Update Time:2023-08-03
Ethyl 3-ethoxyphenylacetate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 2-(3-ethoxyphenyl)acetate
- ethyl 3-ethoxyphenylacetate
- YCFNRHJSTXLJPQ-UHFFFAOYSA-N
- Benzeneacetic acid, 3-ethoxy-, ethyl ester
- Ethyl 3-ethoxyphenylacetate
-
- Inchi： 1S/C12H16O3/c1-3-14-11-7-5-6-10(8-11)9-12(13)15-4-2/h5-8H,3-4,9H2,1-2H3
- InChI Key： YCFNRHJSTXLJPQ-UHFFFAOYSA-N
- SMILES： O(CC)C1=CC=CC(=C1)CC(=O)OCC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 191
- XLogP3: 2.6
- Topological Polar Surface Area: 35.5
Ethyl 3-ethoxyphenylacetate Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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