Cas no 93805-72-2 (Butanoic acid,2-ethyl-4-oxo-4H-pyran-3-yl ester)
93805-72-2 structure
Product Name:Butanoic acid,2-ethyl-4-oxo-4H-pyran-3-yl ester
CAS No:93805-72-2
MF:C11H14O4
MW:210.226463794708
CID:809635
PubChem ID:16205802
Update Time:2025-04-19
Butanoic acid,2-ethyl-4-oxo-4H-pyran-3-yl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2-ethyl-4-oxo-4H-pyran-3-yl ester
- (2-ethyl-4-oxopyran-3-yl) butanoate
- 2-ethyl-4-oxo-4H-pyran-3-yl butyrate
- BVE6BKQ6L2
- NS00039648
- DTXSID70239709
- 2-Ethyl-4-oxo-4H-pyran-3-yl butanoate
- EINECS 298-555-9
- Butanoic acid, 2-ethyl-4-oxo-4H-pyran-3-yl ester
- 93805-72-2
-
- Inchi： 1S/C11H14O4/c1-3-5-10(13)15-11-8(12)6-7-14-9(11)4-2/h6-7H,3-5H2,1-2H3
- InChI Key： YVDBHRIILLVEBJ-UHFFFAOYSA-N
- SMILES： O(C(CCC)=O)C1C(C=COC=1CC)=O
Computed Properties
- Exact Mass: 210.089209
- Monoisotopic Mass: 210.089209
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 326
- 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
- Topological Polar Surface Area: 52.6
- XLogP3: 1.7
Experimental Properties
- Density: 1.13
- Boiling Point: 336.5°Cat760mmHg
- Flash Point: 148.8°C
- Refractive Index: 1.498
Butanoic acid,2-ethyl-4-oxo-4H-pyran-3-yl ester Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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