Cas no 29040-33-3 (Propanoic acid, 2-(2-formylphenoxy)-, ethyl ester)
29040-33-3 structure
Product Name:Propanoic acid, 2-(2-formylphenoxy)-, ethyl ester
CAS No:29040-33-3
MF:C12H14O4
MW:222.237164020538
CID:1438699
PubChem ID:12490471
Update Time:2025-04-20
Propanoic acid, 2-(2-formylphenoxy)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2-(2-formylphenoxy)-, ethyl ester
- ethyl 2-(2-formylphenoxy)propanoate
- AKOS000313198
- ethyl 2-(2-formylphenoxy)propionate
- 29040-33-3
- DTXSID40500211
-
- Inchi： 1S/C12H14O4/c1-3-15-12(14)9(2)16-11-7-5-4-6-10(11)8-13/h4-9H,3H2,1-2H3
- InChI Key： MICVWDMBZNYHCD-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1C=O)C(C(=O)OCC)C
Computed Properties
- Exact Mass: 222.08922
- Monoisotopic Mass: 222.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 239
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Propanoic acid, 2-(2-formylphenoxy)-, ethyl ester Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
29040-33-3 (Propanoic acid, 2-(2-formylphenoxy)-, ethyl ester) Related Products
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