Cas no 86197-13-9 (Ethyl 3-(1,3-dioxolan-2-yl)propanoate)
86197-13-9 structure
Product Name:Ethyl 3-(1,3-dioxolan-2-yl)propanoate
CAS No:86197-13-9
MF:C8H14O4
MW:174.194363117218
CID:2736458
PubChem ID:14785728
Update Time:2025-04-21
Ethyl 3-(1,3-dioxolan-2-yl)propanoate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 3-(1,3-dioxolan-2-yl)propanoate
- 86197-13-9
- DTXSID70563995
- Ethyl 3-(1,3-dioxolan-2-yl)propanoate
-
- Inchi： 1S/C8H14O4/c1-2-10-7(9)3-4-8-11-5-6-12-8/h8H,2-6H2,1H3
- InChI Key： SRBMYZYTVOAXBV-UHFFFAOYSA-N
- SMILES： O1CCOC1CCC(=O)OCC
Computed Properties
- Exact Mass: 174.08920892Da
- Monoisotopic Mass: 174.08920892Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 140
- 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: 0.4
- Topological Polar Surface Area: 44.8?2
Ethyl 3-(1,3-dioxolan-2-yl)propanoate Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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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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