Cas no 62026-32-8 (4-Nonanone, 1-(2-methyl-1,3-dioxolan-2-yl)-)
62026-32-8 structure
Product Name:4-Nonanone, 1-(2-methyl-1,3-dioxolan-2-yl)-
CAS No:62026-32-8
MF:C13H24O3
MW:228.327864646912
CID:460315
PubChem ID:13599383
Update Time:2025-04-19
4-Nonanone, 1-(2-methyl-1,3-dioxolan-2-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Nonanone, 1-(2-methyl-1,3-dioxolan-2-yl)-
- 1-(2-methyl-1,3-dioxolan-2-yl)nonan-4-one
- DTXSID60544718
- 62026-32-8
-
- Inchi： 1S/C13H24O3/c1-3-4-5-7-12(14)8-6-9-13(2)15-10-11-16-13/h3-11H2,1-2H3
- InChI Key： FAJMSNUXJHRBJI-UHFFFAOYSA-N
- SMILES： O1CCOC1(C)CCCC(CCCCC)=O
Computed Properties
- Exact Mass: 228.17262
- Monoisotopic Mass: 228.17254462g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 8
- Complexity: 207
- 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: 35.5?2
Experimental Properties
- PSA: 35.53
4-Nonanone, 1-(2-methyl-1,3-dioxolan-2-yl)- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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