Cas no 42397-31-9 (1-(2-Methyl-1,3-dioxolan-2-yl)pentan-3-one)
42397-31-9 structure
Product Name:1-(2-Methyl-1,3-dioxolan-2-yl)pentan-3-one
CAS No:42397-31-9
MF:C9H16O3
MW:172.221543312073
CID:2827219
PubChem ID:13040589
Update Time:2025-04-21
1-(2-Methyl-1,3-dioxolan-2-yl)pentan-3-one Chemical and Physical Properties
Names and Identifiers
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- 1-(2-methyl-[1,3]dioxolan-2-yl)-pentan-3-one
- 1-(2-methyl-1,3-dioxolan-2-yl)-3-pentanone
- 42397-31-9
- DTXSID90516064
- 1-(2-Methyl-1,3-dioxolan-2-yl)pentan-3-one
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- Inchi： 1S/C9H16O3/c1-3-8(10)4-5-9(2)11-6-7-12-9/h3-7H2,1-2H3
- InChI Key： SXWUQEQJUMCCLY-UHFFFAOYSA-N
- SMILES： O1CCOC1(C)CCC(CC)=O
Computed Properties
- Exact Mass: 172.109944368Da
- Monoisotopic Mass: 172.109944368Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 159
- 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: 0.5
- Topological Polar Surface Area: 35.5?2
1-(2-Methyl-1,3-dioxolan-2-yl)pentan-3-one Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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