Cas no 15503-27-2 (2H-Pyran-5-carboxylic acid, 3,4-dihydro-2,6-dimethyl-4-oxo-, ethyl ester)
15503-27-2 structure
Product Name:2H-Pyran-5-carboxylic acid, 3,4-dihydro-2,6-dimethyl-4-oxo-, ethyl ester
CAS No:15503-27-2
MF:C10H14O4
MW:198.215763568878
CID:1334036
PubChem ID:12461032
Update Time:2025-04-20
2H-Pyran-5-carboxylic acid, 3,4-dihydro-2,6-dimethyl-4-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyran-5-carboxylic acid, 3,4-dihydro-2,6-dimethyl-4-oxo-, ethyl ester
- ethyl 2,6-dimethyl-4-oxo-2,3-dihydropyran-5-carboxylate
- Ethyl 2,6-dimethyl-4-oxo-3,4-dihydro-2H-pyran-5-carboxylate
- DTXSID40499176
- 15503-27-2
-
- Inchi： 1S/C10H14O4/c1-4-13-10(12)9-7(3)14-6(2)5-8(9)11/h6H,4-5H2,1-3H3
- InChI Key： XZZVFYXYTHUGOS-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C(=O)OCC)C(CC1C)=O
Computed Properties
- Exact Mass: 198.08920892g/mol
- Monoisotopic Mass: 198.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 291
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 52.6?2
2H-Pyran-5-carboxylic acid, 3,4-dihydro-2,6-dimethyl-4-oxo-, ethyl ester Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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