| CAS Number | 40500-07-0 |
| Catalog Number | AG018S92(AGN-PC-03MLP0) |
| Chemical Name | 3-(oxan-2-yl)propanoic acid |
| IUPAC Name | 3-(oxan-2-yl)propanoic acid |
| InChI | InChI=1S/C8H14O3/c9-8(10)5-4-7-3-1-2-6-11-7/h7H,1-6H2,(H,9,10) |
| InChI Key | QQROKZJSXZUIIB-UHFFFAOYSA-N |
| MDL Number | MFCD18483268 |
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.1950 |
| SMILES | OC(CCC1OCCCC1)=O |
| Synonyms | 3-(oxan-2-yl)propanoic acid,
40500-07-0,
3-(Tetrahydro-2H-pyran-2-yl)propionic acid,
SCHEMBL4178282,
QQROKZJSXZUIIB-UHFFFAOYSA-N,
MFCD18483268,
AKOS009237056,
NE23839,
3-(Tetrahydropyran-2-yl)propanoic Acid,
BS-13544,
3-Tetrahydro-2H-pyran-2-ylpropanoic acid,
EN300-74198,
F8889-2068,
Z1259339777,
|
| Complexity | 133 |
| 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 | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number