| CAS Number | 1443981-45-0 |
| Catalog Number | AG01A5N2(AGN-PC-0WOCRH) |
| Chemical Name | 1-(Oxan-3-yl)ethan-1-one |
| IUPAC Name | 1-(oxan-3-yl)ethanone |
| InChI | InChI=1S/C7H12O2/c1-6(8)7-3-2-4-9-5-7/h7H,2-5H2,1H3 |
| InChI Key | OYUIDNXVSDOHKE-UHFFFAOYSA-N |
| MDL Number | MFCD21188429 |
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.1690 |
| SMILES | CC(=O)C1CCCOC1 |
| Synonyms | 1-(oxan-3-yl)ethan-1-one,
1443981-45-0,
SCHEMBL15116660,
AKOS014667055,
MCULE-8355092375,
NE29404,
Z1642058283,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.171g/mol |
| Monoisotopic Mass | 128.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number