| CAS Number | 1021939-05-8 |
| Catalog Number | AG01BAT2 |
| Chemical Name | 3-Cyclopropyl-3-methylbutanoic acid |
| IUPAC Name | 3-cyclopropyl-3-methylbutanoic acid |
| InChI | InChI=1S/C8H14O2/c1-8(2,5-7(9)10)6-3-4-6/h6H,3-5H2,1-2H3,(H,9,10) |
| InChI Key | BYKZSXIJPNCMRD-UHFFFAOYSA-N |
| MDL Number | MFCD19231813 |
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.1956 |
| SMILES | CC(C1CC1)(CC(O)=O)C |
| Synonyms | 3-cyclopropyl-3-methylbutanoic acid,
1021939-05-8,
SCHEMBL3516359,
BYKZSXIJPNCMRD-UHFFFAOYSA-N,
3-cyclopropyl-3-methylbutyric acid,
ZINC82707849,
AKOS006386896,
DA-16235,
FT-0735952,
|
| 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 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number