| CAS Number | 928758-00-3 |
| Catalog Number | AG00IHDI(AGN-PC-0WA8WZ) |
| Chemical Name | 3-Oxetaneacetaldehyde |
| IUPAC Name | 2-(oxetan-3-yl)acetaldehyde |
| InChI | InChI=1S/C5H8O2/c6-2-1-5-3-7-4-5/h2,5H,1,3-4H2 |
| InChI Key | AIFBKSGZBRGQJE-UHFFFAOYSA-N |
| MDL Number | MFCD22566258 |
| Molecular Formula | C5H8O2 |
| Molecular Weight | 100.1158 |
| SMILES | O1CC(C1)CC=O |
| Synonyms | 3-OXETANEACETALDEHYDE,
928758-00-3,
2-(OXETAN-3-YL)ACETALDEHYDE,
SCHEMBL14126250,
MFCD22566258,
ZINC95630860,
AKOS023656440,
PB14037,
AS-46592,
DB-003213,
Q-4570,
|
| Complexity | 66.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 100.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 100.117g/mol |
| Monoisotopic Mass | 100.052g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number