| CAS Number | 2138045-01-7 |
| Catalog Number | AG01EL0E |
| Chemical Name | 3-cyano-1-methylcyclobutane-1-carboxylic acid |
| IUPAC Name | 3-cyano-1-methylcyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C7H9NO2/c1-7(6(9)10)2-5(3-7)4-8/h5H,2-3H2,1H3,(H,9,10) |
| InChI Key | KVHZIDJLDIRBGK-UHFFFAOYSA-N |
| MDL Number | MFCD31558986 |
| Molecular Formula | C7H9NO2 |
| Molecular Weight | 139.1519 |
| SMILES | CC1(C(O)=O)CC(C#N)C1 |
| Synonyms | 3-cyano-1-methylcyclobutane-1-carboxylic acid, Mixture of diastereomers,
2138045-01-7,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.154g/mol |
| Monoisotopic Mass | 139.063g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number