| CAS Number | 127956-19-8 |
| Catalog Number | AG00ILGP |
| Chemical Name | methyl 5-oxooxane-3-carboxylate |
| IUPAC Name | methyl 5-oxooxane-3-carboxylate |
| InChI | InChI=1S/C7H10O4/c1-10-7(9)5-2-6(8)4-11-3-5/h5H,2-4H2,1H3 |
| InChI Key | AUIRKSUBTADDBW-UHFFFAOYSA-N |
| MDL Number | MFCD24691441 |
| Molecular Formula | C7H10O4 |
| Molecular Weight | 158.1519 |
| SMILES | COC(=O)C1COCC(=O)C1 |
| Synonyms | methyl 5-oxooxane-3-carboxylate,
127956-19-8,
Methyl 5-oxotetrahydro-2H-pyran-3-carboxylate,
SCHEMBL1564187,
AUIRKSUBTADDBW-UHFFFAOYSA-N,
2H-Pyran-3-carboxylic acid, tetrahydro-5-oxo-, methyl ester,
SB12342,
AS-54079,
methyl 3-oxotetrahydropyran-5-carboxylate,
methyl 5-oxotetrahydropyran-3-carboxylate,
CS-0048960,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.057909g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.15g/mol |
| Monoisotopic Mass | 158.057909g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.6Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number