| CAS Number | 17742-05-1 |
| Catalog Number | AG01A0FH(AGN-PC-0D06A5) |
| Chemical Name | 3-Methoxybutan-2-one |
| IUPAC Name | 3-methoxybutan-2-one |
| InChI | InChI=1S/C5H10O2/c1-4(6)5(2)7-3/h5H,1-3H3 |
| InChI Key | DLPGPGQJLPODMY-UHFFFAOYSA-N |
| MDL Number | MFCD12062689 |
| Molecular Formula | C5H10O2 |
| Molecular Weight | 102.1317 |
| SMILES | COC(C(C)=O)C |
| Synonyms | 3-METHOXYBUTAN-2-ONE,
3-methoxy-2-butanone,
17742-05-1,
3-Methoxy-butan-2-one,
SCHEMBL805273,
DTXSID80500533,
DLPGPGQJLPODMY-UHFFFAOYSA-N,
AKOS009993198,
MCULE-8058502137,
NE52022,
|
| Complexity | 68.5 |
| 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 | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number