Cas no 32444-33-0 (2-Ethyl-3-methyl-butyric acid methyl ester)
32444-33-0 structure
Product Name:2-Ethyl-3-methyl-butyric acid methyl ester
CAS No:32444-33-0
MF:C8H16O2
MW:144.211442947388
CID:2947676
PubChem ID:12696465
Update Time:2024-11-06
2-Ethyl-3-methyl-butyric acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Ethyl-3-methyl-butyric acid methyl ester
- DZSHJVHEBKGUGV-UHFFFAOYSA-N
- 32444-33-0
- methyl 2-ethyl-3-methylbutanoate
- DTXSID301303169
- SCHEMBL7433060
-
- Inchi： 1S/C8H16O2/c1-5-7(6(2)3)8(9)10-4/h6-7H,5H2,1-4H3
- InChI Key： DZSHJVHEBKGUGV-UHFFFAOYSA-N
- SMILES： O(C)C(C(CC)C(C)C)=O
Computed Properties
- Exact Mass: 144.115029749g/mol
- Monoisotopic Mass: 144.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 108
- 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: 2.3
- Topological Polar Surface Area: 26.3?2
2-Ethyl-3-methyl-butyric acid methyl ester Related Literature
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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4. 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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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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