Cas no 632299-38-8 (Butanoic acid, 2-ethoxy-4-formylphenyl ester)
632299-38-8 structure
Product Name:Butanoic acid, 2-ethoxy-4-formylphenyl ester
CAS No:632299-38-8
MF:C13H16O4
MW:236.263744354248
CID:426983
PubChem ID:713393
Update Time:2025-04-19
Butanoic acid, 2-ethoxy-4-formylphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 2-ethoxy-4-formylphenyl ester
- (2-ethoxy-4-formylphenyl) butanoate
- 632299-38-8
- 4-formyl-2-ethoxyphenyl butanoate
- SR-01000294929
- 2-ethoxy-4-formylphenyl butanoate
- SR-01000294929-1
- 2-Ethoxy-4-formylphenyl butyrate
- AKOS005617331
- DTXSID00351908
-
- Inchi： 1S/C13H16O4/c1-3-5-13(15)17-11-7-6-10(9-14)8-12(11)16-4-2/h6-9H,3-5H2,1-2H3
- InChI Key： DKLNBKQWFAIPCG-UHFFFAOYSA-N
- SMILES： O(C(CCC)=O)C1C=CC(C=O)=CC=1OCC
Computed Properties
- Exact Mass: 236.10488
- Monoisotopic Mass: 236.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 252
- 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: 2.3
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Butanoic acid, 2-ethoxy-4-formylphenyl ester Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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