| CAS Number | 806615-12-3 |
| Catalog Number | AG01DWOF |
| Chemical Name | 1,3-Dimethylcyclobutane-1-carboxylic acid |
| IUPAC Name | 1,3-dimethylcyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C7H12O2/c1-5-3-7(2,4-5)6(8)9/h5H,3-4H2,1-2H3,(H,8,9) |
| InChI Key | BUHKJHMRUNVSED-UHFFFAOYSA-N |
| MDL Number | MFCD26381345 |
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.1690 |
| SMILES | CC1CC(C(O)=O)(C)C1 |
| Synonyms | 1,3-dimethylcyclobutane-1-carboxylic acid,
806615-12-3,
1,3-Dimethyl-cyclobutanecarboxylic acid,
SCHEMBL3153384,
SCHEMBL13895704,
ZINC77260099,
AKOS023252295,
|
| Complexity | 134 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.171g/mol |
| Monoisotopic Mass | 128.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number