Cas no 94109-49-6 (Ethyl 3-(p-ethylphenyl)oxirane-2-carboxylate)
94109-49-6 structure
Product Name:Ethyl 3-(p-ethylphenyl)oxirane-2-carboxylate
CAS No:94109-49-6
MF:C13H16O3
MW:220.264344215393
CID:1000639
Update Time:2023-08-03
Ethyl 3-(p-ethylphenyl)oxirane-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 3-(p-ethylphenyl)oxirane-2-carboxylate
- ethyl 3-(4-ethylphenyl)oxirane-2-carboxylate
- 3-(4-Ethylphenyl)oxiranecarboxylic acid ethyl ester
- Ethyl 3-(p-ethylphenyl)oxirane-2-carboxylate
-
- Inchi: 1S/C13H16O3/c1-3-9-5-7-10(8-6-9)11-12(16-11)13(14)15-4-2/h5-8,11-12H,3-4H2,1-2H3
- InChI Key: PJNXXWPQNHTLAO-UHFFFAOYSA-N
- SMILES: O1C(C(=O)OCC)C1C1C=CC(CC)=CC=1
Computed Properties
- Exact Mass: 220.109944
- Monoisotopic Mass: 220.109944
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 244
- 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
- Topological Polar Surface Area: 38.8
Experimental Properties
- Density: 1.127
- Boiling Point: 308.6°Cat760mmHg
- Flash Point: 126°C
- Refractive Index: 1.53
Ethyl 3-(p-ethylphenyl)oxirane-2-carboxylate Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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