| CAS Number | 952685-59-5 |
| Catalog Number | AG01ABT6(AGN-PC-0WOAYL) |
| Chemical Name | 3-(Oxan-4-yl)propanal |
| IUPAC Name | 3-(oxan-4-yl)propanal |
| InChI | InChI=1S/C8H14O2/c9-5-1-2-8-3-6-10-7-4-8/h5,8H,1-4,6-7H2 |
| InChI Key | MPQGHLGJSCIVNS-UHFFFAOYSA-N |
| MDL Number | MFCD11226125 |
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.1956 |
| SMILES | O=CCCC1CCOCC1 |
| Synonyms | 3-(oxan-4-yl)propanal,
952685-59-5,
3-(TETRAHYDRO-2H-PYRAN-4-YL)PROPANAL,
SCHEMBL969303,
MPQGHLGJSCIVNS-UHFFFAOYSA-N,
2H-Pyran-4-propanal, tetrahydro-,
ZINC35322915,
AKOS011895467,
NE49985,
3-(tetrahydro-pyran-4-yl)-propionaldehyde,
3- propanal,
tetrahydro-2H-Pyran-4-propanal,
|
| Complexity | 95.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.198g/mol |
| Monoisotopic Mass | 142.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number