Cas no 61784-39-2 (1-Pentanone, 1-(2-methyl-1,3-dioxolan-2-yl)-)
61784-39-2 structure
Product Name:1-Pentanone, 1-(2-methyl-1,3-dioxolan-2-yl)-
CAS No:61784-39-2
MF:C9H16O3
MW:172.221543312073
CID:466265
PubChem ID:12296891
Update Time:2025-04-19
1-Pentanone, 1-(2-methyl-1,3-dioxolan-2-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Pentanone, 1-(2-methyl-1,3-dioxolan-2-yl)-
- 1-(2-methyl-1,3-dioxolan-2-yl)pentan-1-one
- 61784-39-2
- DTXSID90485706
-
- Inchi： 1S/C9H16O3/c1-3-4-5-8(10)9(2)11-6-7-12-9/h3-7H2,1-2H3
- InChI Key： UJPHVPRSRWYBAL-UHFFFAOYSA-N
- SMILES： O1CCOC1(C)C(CCCC)=O
Computed Properties
- Exact Mass: 172.10998
- Monoisotopic Mass: 172.109944368g/mol
- 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: 1.1
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
1-Pentanone, 1-(2-methyl-1,3-dioxolan-2-yl)- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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