| CAS Number | 71199-13-8 |
| Catalog Number | AG018S58(AGN-PC-0TYPQG) |
| Chemical Name | 2-Cyclopropyl-2-methylpropanoic acid |
| IUPAC Name | 2-cyclopropyl-2-methylpropanoic acid |
| InChI | InChI=1S/C7H12O2/c1-7(2,6(8)9)5-3-4-5/h5H,3-4H2,1-2H3,(H,8,9) |
| InChI Key | UNNZYCYDGUQDDK-UHFFFAOYSA-N |
| MDL Number | MFCD19228798 |
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.1690 |
| SMILES | CC(C(O)=O)(C1CC1)C |
| Synonyms | 2-cyclopropyl-2-methylpropanoic acid,
71199-13-8,
2-Cyclopropylisobutyric acid,
SCHEMBL9827947,
MFCD19228798,
ZINC78160341,
AKOS006376292,
F8886-5279,
Z2096659418,
2-methyl-2-(cyclopropyl)propionic acid,
|
| 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 | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number