Cas no 5464-72-2 (Nonanoic acid,3-hydroxy-3-methyl-, ethyl ester)
5464-72-2 structure
Product Name:Nonanoic acid,3-hydroxy-3-methyl-, ethyl ester
CAS No:5464-72-2
MF:C12H24O3
MW:216.317164421082
CID:375921
PubChem ID:225736
Update Time:2025-04-19
Nonanoic acid,3-hydroxy-3-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Nonanoic acid,3-hydroxy-3-methyl-, ethyl ester
- ethyl 3-hydroxy-3-methylnonanoate
- ethyl 3-hydroxy-3-methyl-nonanoate
- 3-hydroxy-3-methyl-nonanoic acid ethyl ester
- 3-Hydroxy-3-methyl-nonansaeure-aethylester
- 3-Hydroxy-3-methyl-pelargonsaeure-aethylester
- AC1L5E95
- AC1Q6513
- AR-1I8852
- CTK5A2063
- ethyl 3-hydroxy-3-methyl-n-nonanoate
- ethyl 3-hydroxy-3-methylnonaoate
- ethyl 3-methyl-3-hydroxynonanoate
- NSC15444
- SCHEMBL11209470
- 5464-72-2
- NSC-15444
- AKOS011680249
- DTXSID30280095
- NXRBXPDEFDUATB-UHFFFAOYSA-N
- Ethyl-3-hydroxy-3-methyl-n-nonanoate
-
- Inchi： 1S/C12H24O3/c1-4-6-7-8-9-12(3,14)10-11(13)15-5-2/h14H,4-10H2,1-3H3
- InChI Key： NXRBXPDEFDUATB-UHFFFAOYSA-N
- SMILES： OC(C)(CC(=O)OCC)CCCCCC
Computed Properties
- Exact Mass: 216.17262
- Monoisotopic Mass: 216.17254462g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 9
- Complexity: 180
- 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: 2.9
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
- LogP: 2.66100
Nonanoic acid,3-hydroxy-3-methyl-, ethyl ester Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
5464-72-2 (Nonanoic acid,3-hydroxy-3-methyl-, ethyl ester) Related Products
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