| CAS Number | 1342572-49-9 |
| Catalog Number | AG019TWH(AGN-PC-0WO86J) |
| Chemical Name | 3-(Oxan-3-yl)propanoic acid |
| IUPAC Name | 3-(oxan-3-yl)propanoic acid |
| InChI | InChI=1S/C8H14O3/c9-8(10)4-3-7-2-1-5-11-6-7/h7H,1-6H2,(H,9,10) |
| InChI Key | RWPBWJMWHVFSEN-UHFFFAOYSA-N |
| MDL Number | MFCD18877125 |
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.1950 |
| SMILES | OC(CCC1COCCC1)=O |
| Synonyms | 3-(oxan-3-yl)propanoic acid,
1342572-49-9,
3-(Tetrahydro-2H-pyran-3-yl)propanoic acid,
SCHEMBL8642164,
AKOS013048362,
MCULE-2925847386,
NE34022,
F8889-5941,
Z1333717727,
|
| 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 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number