Cas no 63969-80-2 (ethyl 3-(2-formylphenyl)propanoate)
63969-80-2 structure
Product Name:ethyl 3-(2-formylphenyl)propanoate
CAS No:63969-80-2
MF:C12H14O3
MW:206.237763881683
CID:961053
PubChem ID:12241422
Update Time:2025-04-19
ethyl 3-(2-formylphenyl)propanoate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 3-(2-formylphenyl)propanoate
- 3-(2-Formylphenyl)Propanoic Acid Ethyl Ester
- AG-G-38922
- CTK5C0323
- MB05786
- DB-319396
- DTXSID90482018
- SCHEMBL3174502
- 63969-80-2
-
- Inchi： 1S/C12H14O3/c1-2-15-12(14)8-7-10-5-3-4-6-11(10)9-13/h3-6,9H,2,7-8H2,1H3
- InChI Key： JURVVSZGQBYHPR-UHFFFAOYSA-N
- SMILES： O(CC)C(CCC1C=CC=CC=1C=O)=O
Computed Properties
- Exact Mass: 206.09400
- Monoisotopic Mass: 206.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 213
- 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: 1.8
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37000
- LogP: 1.99480
ethyl 3-(2-formylphenyl)propanoate Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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