| CAS Number | 871261-02-8 |
| Catalog Number | AG01C04F |
| Chemical Name | 2-(Oxan-4-yl)-2-oxoacetic acid |
| IUPAC Name | 2-(oxan-4-yl)-2-oxoacetic acid |
| InChI | InChI=1S/C7H10O4/c8-6(7(9)10)5-1-3-11-4-2-5/h5H,1-4H2,(H,9,10) |
| InChI Key | JCHGXZYMFMXIQH-UHFFFAOYSA-N |
| MDL Number | MFCD18452133 |
| Molecular Formula | C7H10O4 |
| Molecular Weight | 158.1519 |
| SMILES | OC(C(C1CCOCC1)=O)=O |
| Synonyms | 2-(oxan-4-yl)-2-oxoacetic acid,
871261-02-8,
SCHEMBL4517263,
JCHGXZYMFMXIQH-UHFFFAOYSA-N,
oxo(tetrahydropyran-4-yl)acetic acid,
ZINC38234648,
AKOS006372267,
2H-Pyran-4-acetic acid, tetrahydro-alpha-oxo-,
2-(oxan-4-yl)-2-oxo-acetic Acid,
CID11679856,
2-oxo-2-(tetrahydro-2H-pyran-4-yl)acetic acid,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.153g/mol |
| Monoisotopic Mass | 158.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number