| CAS Number | 2790-01-4 |
| Catalog Number | AG01C77G |
| Chemical Name | 1-Butylcyclopropane-1-carboxylic acid |
| IUPAC Name | 1-butylcyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C8H14O2/c1-2-3-4-8(5-6-8)7(9)10/h2-6H2,1H3,(H,9,10) |
| InChI Key | TYBSOAUWRAKTNE-UHFFFAOYSA-N |
| MDL Number | MFCD19229083 |
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.1956 |
| SMILES | CCCCC1(C(O)=O)CC1 |
| Synonyms | 1-butylcyclopropane-1-carboxylic acid,
2790-01-4,
SCHEMBL481536,
cis-butylcyclopropanecarboxylic acid,
ZINC71482984,
AKOS006376311,
FT-0705417,
1-butylCyclopropanecarboxylic acid,
|
| Complexity | 136 |
| 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 | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number