| CAS Number | 50741-70-3 |
| Catalog Number | AG01AJKX(AGN-PC-0MYF73) |
| Chemical Name | 1-Methoxybutan-2-One |
| IUPAC Name | 1-methoxybutan-2-one |
| InChI | InChI=1S/C5H10O2/c1-3-5(6)4-7-2/h3-4H2,1-2H3 |
| InChI Key | AKXHGJCMQJQWMU-UHFFFAOYSA-N |
| MDL Number | MFCD14691011 |
| Molecular Formula | C5H10O2 |
| Molecular Weight | 102.1317 |
| SMILES | CCC(COC)=O |
| Synonyms | 1-methoxybutan-2-one,
1-methoxy-2-butanone,
50741-70-3,
ethyl methoxymethyl ketone,
1-methoxy-butan-2-one,
methoxy-methyl ethyl ketone,
SCHEMBL267249,
AKXHGJCMQJQWMU-UHFFFAOYSA-N,
ZINC14444678,
AKOS008149573,
MCULE-1087802011,
NE32469,
EN300-80988,
CID10080345,
|
| Complexity | 59.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 102.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 102.133g/mol |
| Monoisotopic Mass | 102.068g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number