Cas no 6124-59-0 (1-Propanone, 1-(3-propyloxiranyl)-)
6124-59-0 structure
Product Name:1-Propanone, 1-(3-propyloxiranyl)-
CAS No:6124-59-0
MF:C8H14O2
MW:142.195562839508
CID:487206
PubChem ID:14742229
Update Time:2025-04-19
1-Propanone, 1-(3-propyloxiranyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanone, 1-(3-propyloxiranyl)-
- 1-(3-propyloxiran-2-yl)propan-1-one
- 6124-59-0
- DTXSID40563503
- SCHEMBL11879210
-
- Inchi： 1S/C8H14O2/c1-3-5-7-8(10-7)6(9)4-2/h7-8H,3-5H2,1-2H3
- InChI Key： OPYFMKOJQPQLOJ-UHFFFAOYSA-N
- SMILES： O1C(C(CC)=O)C1CCC
Computed Properties
- Exact Mass: 142.09942
- Monoisotopic Mass: 142.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 131
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 29.6?2
Experimental Properties
- PSA: 29.6
1-Propanone, 1-(3-propyloxiranyl)- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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