Cas no 170645-86-0 (Benzoicacid, 2,4,5-triethoxy-, ethyl ester)
170645-86-0 structure
Product Name:Benzoicacid, 2,4,5-triethoxy-, ethyl ester
CAS No:170645-86-0
MF:C15H22O5
MW:282.332185268402
CID:138003
PubChem ID:4428482
Update Time:2025-04-19
Benzoicacid, 2,4,5-triethoxy-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoicacid, 2,4,5-triethoxy-, ethyl ester
- Ethyl 2,4,5-triethoxybenzoate
- ETHYL 2 4 5-TRIETHOXYBENZOATE 97
- ETHYL 2 4 5-TRIETHOXYBENZOATE 97%
- AKOS015910752
- 170645-86-0
- Benzoicacid,2,4,5-triethoxy-,ethyl ester
-
- Inchi： 1S/C15H22O5/c1-5-17-12-10-14(19-7-3)13(18-6-2)9-11(12)15(16)20-8-4/h9-10H,5-8H2,1-4H3
- InChI Key： ZEYJBLYNMNHZGJ-UHFFFAOYSA-N
- SMILES： O(CC)C1C=C(C(=CC=1C(=O)OCC)OCC)OCC
Computed Properties
- Exact Mass: 282.14676
- Monoisotopic Mass: 282.14672380g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 9
- Complexity: 281
- 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: 3.2
- Topological Polar Surface Area: 54?2
Experimental Properties
- Melting Point: 50-54?°C(lit.)
- PSA: 53.99
Benzoicacid, 2,4,5-triethoxy-, ethyl ester Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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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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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
170645-86-0 (Benzoicacid, 2,4,5-triethoxy-, ethyl ester) Related Products
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