Cas no 61784-38-1 (1-Butanone, 1-(2-methyl-1,3-dioxolan-2-yl)-)
61784-38-1 structure
Product Name:1-Butanone, 1-(2-methyl-1,3-dioxolan-2-yl)-
CAS No:61784-38-1
MF:C8H14O3
MW:158.194962978363
CID:466266
PubChem ID:12296890
Update Time:2025-04-19
1-Butanone, 1-(2-methyl-1,3-dioxolan-2-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanone, 1-(2-methyl-1,3-dioxolan-2-yl)-
- 1-(2-methyl-1,3-dioxolan-2-yl)butan-1-one
- 61784-38-1
- DTXSID30485705
-
- Inchi： 1S/C8H14O3/c1-3-4-7(9)8(2)10-5-6-11-8/h3-6H2,1-2H3
- InChI Key： AWJWSHVFLJXJKC-UHFFFAOYSA-N
- SMILES： O1CCOC1(C)C(CCC)=O
Computed Properties
- Exact Mass: 158.09432
- Monoisotopic Mass: 158.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 147
- 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: 0.6
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
1-Butanone, 1-(2-methyl-1,3-dioxolan-2-yl)- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Danlei Xiang Nanoscale, 2021,13, 5497-5506
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Bo Chen,Xiaotong Shen,Zhangfeng Luo,Di Cai,Changjing Chen,Changwei Zhang,Peiyong Qin,Hui Cao,Tianwei Tan RSC Adv., 2018,8, 25602-25610
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