| CAS Number | 1346641-21-1 |
| Catalog Number | AG01B88D(AGN-PC-0WOFAL) |
| Chemical Name | 1-(2-Methylpropyl)cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-(2-methylpropyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C8H14O2/c1-6(2)5-8(3-4-8)7(9)10/h6H,3-5H2,1-2H3,(H,9,10) |
| InChI Key | GOABMQWDEIMBRL-UHFFFAOYSA-N |
| MDL Number | MFCD21669761 |
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.1956 |
| SMILES | O=C(C1(CC(C)C)CC1)O |
| Synonyms | 1-(2-methylpropyl)cyclopropane-1-carboxylic acid,
1346641-21-1,
SCHEMBL10900629,
ZINC59493460,
AKOS015367423,
Z1992316316,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.198g/mol |
| Monoisotopic Mass | 142.099g/mol |
| Rotatable Bond Count | 3 |
| 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