| CAS Number | 36233-82-6 |
| Catalog Number | AG00D2LJ(AGN-PC-03OYEN) |
| Chemical Name | 2-Ethyloxan-4-One |
| IUPAC Name | 2-ethyloxan-4-one |
| InChI | InChI=1S/C7H12O2/c1-2-7-5-6(8)3-4-9-7/h7H,2-5H2,1H3 |
| InChI Key | XAFWJZRYRSYZKK-UHFFFAOYSA-N |
| MDL Number | MFCD18917265 |
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.1690 |
| SMILES | CCC1CC(=O)CCO1 |
| Synonyms | 2-ethyloxan-4-one,
2-Ethyltetrahydro-4H-pyran-4-one,
36233-82-6,
MFCD18917265,
SCHEMBL8554621,
AKOS013421434,
MCULE-5885330152,
NE21648,
CS-0061467,
FT-0696656,
AZ0001-0590,
EN300-76950,
Z1575304449,
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| 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 | 0.5 |
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Certificate of Analysis
Lot Number