| CAS Number | 1068160-23-5 |
| Catalog Number | AG0039SF(AGN-PC-073FGA) |
| Chemical Name | 3-(Methoxymethyl)Cyclobutanone |
| IUPAC Name | 3-(methoxymethyl)cyclobutan-1-one |
| InChI | InChI=1S/C6H10O2/c1-8-4-5-2-6(7)3-5/h5H,2-4H2,1H3 |
| InChI Key | HVCHAEYIOCQBQO-UHFFFAOYSA-N |
| MDL Number | MFCD22381625 |
| Molecular Formula | C6H10O2 |
| Molecular Weight | 114.1424 |
| SMILES | COCC1CC(C1)=O |
| Synonyms | 3-(methoxymethyl)cyclobutanone,
1068160-23-5,
3-(methoxymethyl)cyclobutan-1-one,
Cyclobutanone, 3-(methoxymethyl)-,
SCHEMBL4749241,
ZINC96032273,
AKOS032961451,
3-(METHOXYMETHYL)-CYCLOBUTANONE,
SC-65908,
FT-0726741,
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| Complexity | 90.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 114.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 114.144g/mol |
| Monoisotopic Mass | 114.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number