| CAS Number | 1690919-45-9 |
| Catalog Number | AG01DVT1 |
| Chemical Name | Methyl 2-cyclobutylbenzoate |
| IUPAC Name | methyl 2-cyclobutylbenzoate |
| InChI | InChI=1S/C12H14O2/c1-14-12(13)11-8-3-2-7-10(11)9-5-4-6-9/h2-3,7-9H,4-6H2,1H3 |
| InChI Key | HQNPFYICYGCALJ-UHFFFAOYSA-N |
| MDL Number | MFCD31615699 |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.2384 |
| SMILES | COC(C1=C(C2CCC2)C=CC=C1)=O |
| Synonyms | methyl 2-cyclobutylbenzoate,
1690919-45-9,
SCHEMBL15648565,
HQNPFYICYGCALJ-UHFFFAOYSA-N,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.242g/mol |
| Monoisotopic Mass | 190.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number