| CAS Number | 60249-14-1 |
| Catalog Number | AG003AP2(AGN-PC-0JM8PE) |
| Chemical Name | 2-ethyl-6-methoxy-3,6-dihydro-2H-pyran-3-one |
| IUPAC Name | 6-ethyl-2-methoxy-2H-pyran-5-one |
| InChI | InChI=1S/C8H12O3/c1-3-7-6(9)4-5-8(10-2)11-7/h4-5,7-8H,3H2,1-2H3 |
| InChI Key | VYWBYISNYZSJLL-UHFFFAOYSA-N |
| MDL Number | MFCD18975211 |
| Molecular Formula | C8H12O3 |
| Molecular Weight | 156.1791 |
| NSC Number | 330492 |
| SMILES | C(C)C1OC(C=CC1=O)OC |
| Synonyms | 60249-14-1,
2H-Pyran-3(6H)-one, 2-ethyl-6-methoxy-,
6-ethyl-2-methoxy-2H-pyran-5-one,
NSC330492,
AC1L7BHC,
2-Ethyl-6-methoxy-3,6-dihydro-2H-pyran-3-one,
SCHEMBL11350688,
CTK8J5433,
DTXSID00318415,
VYWBYISNYZSJLL-UHFFFAOYSA-N,
NSC-330492,
2-Ethyl-6-methoxy-2H-pyran-3(6H)-one,
2-ethyl-6-methoxy-3-oxo-3,6-dihydro-2H-pyran,
CID332602,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.181g/mol |
| Monoisotopic Mass | 156.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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