Cas no 220776-73-8 (3-Ethyldecanoic acid)
3-Ethyldecanoic acid structure
Product Name:3-Ethyldecanoic acid
CAS No:220776-73-8
MF:C12H24O2
MW:200.317764282227
CID:2836293
PubChem ID:15538051
Update Time:2025-04-21
3-Ethyldecanoic acid Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL3416921
- A1-08465
- DTXSID10573831
- 3-Ethyl-decanoic acid
- 3-ETHYLDECANOIC ACID
- H28426
- 220776-73-8
- 3-Ethyldecanoic acid
-
- Inchi： 1S/C12H24O2/c1-3-5-6-7-8-9-11(4-2)10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)
- InChI Key： HRIDWDUZRHVEGN-UHFFFAOYSA-N
- SMILES： OC(CC(CC)CCCCCCC)=O
Computed Properties
- Exact Mass: 200.177630004g/mol
- Monoisotopic Mass: 200.177630004g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 9
- Complexity: 143
- 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: 4.8
- Topological Polar Surface Area: 37.3?2
3-Ethyldecanoic acid Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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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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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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