Cas no 62615-90-1 (4H-Pyran-2-acetic acid, 3-(ethoxycarbonyl)-6-methyl-4-oxo-, ethyl ester)
62615-90-1 structure
Product Name:4H-Pyran-2-acetic acid, 3-(ethoxycarbonyl)-6-methyl-4-oxo-, ethyl ester
CAS No:62615-90-1
MF:C13H16O6
MW:268.262544631958
CID:438080
PubChem ID:12330964
Update Time:2025-04-19
4H-Pyran-2-acetic acid, 3-(ethoxycarbonyl)-6-methyl-4-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4H-Pyran-2-acetic acid, 3-(ethoxycarbonyl)-6-methyl-4-oxo-, ethyl ester
- ethyl 2-(2-ethoxy-2-oxoethyl)-6-methyl-4-oxopyran-3-carboxylate
- 62615-90-1
- Ethyl 2-(2-ethoxy-2-oxoethyl)-6-methyl-4-oxo-4H-pyran-3-carboxylate
- DTXSID00490568
-
- Inchi： 1S/C13H16O6/c1-4-17-11(15)7-10-12(13(16)18-5-2)9(14)6-8(3)19-10/h6H,4-5,7H2,1-3H3
- InChI Key： KXVXVFRIVCOLGI-UHFFFAOYSA-N
- SMILES： O1C(C)=CC(C(C(=O)OCC)=C1CC(=O)OCC)=O
Computed Properties
- Exact Mass: 268.09468
- Monoisotopic Mass: 268.09468823g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 7
- Complexity: 458
- 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: 1.1
- Topological Polar Surface Area: 78.9?2
Experimental Properties
- PSA: 78.9
4H-Pyran-2-acetic acid, 3-(ethoxycarbonyl)-6-methyl-4-oxo-, ethyl ester Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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