| CAS Number | 920297-25-2 |
| Catalog Number | AG019Z40(AGN-PC-0VXU5P) |
| Chemical Name | 2-(Oxan-4-yl)propanoic acid |
| IUPAC Name | 2-(oxan-4-yl)propanoic acid |
| InChI | InChI=1S/C8H14O3/c1-6(8(9)10)7-2-4-11-5-3-7/h6-7H,2-5H2,1H3,(H,9,10) |
| InChI Key | XJRLYKKGTVXRRP-UHFFFAOYSA-N |
| MDL Number | MFCD20642125 |
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.1950 |
| SMILES | C(C(C1CCOCC1)C)(=O)O |
| Synonyms | 2-(oxan-4-yl)propanoic acid,
920297-25-2,
2-tetrahydro-2H-pyran-4-ylpropanoic acid,
SCHEMBL2085370,
XJRLYKKGTVXRRP-UHFFFAOYSA-N,
AKOS017531209,
NE28689,
NCGC00453031-01,
2-(tetrahydro-pyran-4-yl)-propionic acid,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.197g/mol |
| Monoisotopic Mass | 158.094g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number