Cas no 99769-39-8 (Cyclobutanecarboxylic acid, 3-methyl-, ethyl ester (6CI))
99769-39-8 structure
Product Name:Cyclobutanecarboxylic acid, 3-methyl-, ethyl ester (6CI)
CAS No:99769-39-8
MF:C8H14O2
MW:142.195562839508
CID:1003015
PubChem ID:71744054
Update Time:2025-04-20
Cyclobutanecarboxylic acid, 3-methyl-, ethyl ester (6CI) Chemical and Physical Properties
Names and Identifiers
-
- Cyclobutanecarboxylic acid, 3-methyl-, ethyl ester (6CI)
- ethyl 3-methylcyclobutane-1-carboxylate
- SCHEMBL16708922
- 99769-39-8
- DTXSID50857389
- ETHYL3-METHYLCYCLOBUTANECARBOXYLATE
- SCHEMBL17722440
- ETHYL 3-METHYLCYCLOBUTANECARBOXYLATE
- SCHEMBL19239538
-
- MDL： MFCD18909348
- Inchi： 1S/C8H14O2/c1-3-10-8(9)7-4-6(2)5-7/h6-7H,3-5H2,1-2H3
- InChI Key： JGUHQVWWWSWHRI-UHFFFAOYSA-N
- SMILES： O(CC)C(C1CC(C)C1)=O
Computed Properties
- Exact Mass: 142.099379685g/mol
- Monoisotopic Mass: 142.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 125
- 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: 1.7
- Topological Polar Surface Area: 26.3?2
Cyclobutanecarboxylic acid, 3-methyl-, ethyl ester (6CI) Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
99769-39-8 (Cyclobutanecarboxylic acid, 3-methyl-, ethyl ester (6CI)) Related Products
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