Cas no 61634-64-8 (Benzoic acid, 2-(diethoxymethyl)-, ethyl ester)
61634-64-8 structure
Product Name:Benzoic acid, 2-(diethoxymethyl)-, ethyl ester
CAS No:61634-64-8
MF:C14H20O4
MW:252.306204795837
CID:471973
PubChem ID:71393915
Update Time:2025-04-19
Benzoic acid, 2-(diethoxymethyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-(diethoxymethyl)-, ethyl ester
- ethyl 2-(diethoxymethyl)benzoate
- 61634-64-8
- DTXSID00815651
-
- Inchi： 1S/C14H20O4/c1-4-16-13(15)11-9-7-8-10-12(11)14(17-5-2)18-6-3/h7-10,14H,4-6H2,1-3H3
- InChI Key： FTVUEJNQQXLKCZ-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=CC=CC=1C(=O)OCC)OCC
Computed Properties
- Exact Mass: 252.1362
- Monoisotopic Mass: 252.13615911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 236
- 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: 2.5
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
Benzoic acid, 2-(diethoxymethyl)-, ethyl ester Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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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