| CAS Number | 1535471-50-1 |
| Catalog Number | AG01AN2U |
| Chemical Name | 3-(3,3-dimethylbutyl)-3-hydroxycyclobutane-1-carboxylic acid |
| IUPAC Name | 3-(3,3-dimethylbutyl)-3-hydroxycyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C11H20O3/c1-10(2,3)4-5-11(14)6-8(7-11)9(12)13/h8,14H,4-7H2,1-3H3,(H,12,13) |
| InChI Key | AGWHHFCLYNYHDH-UHFFFAOYSA-N |
| MDL Number | MFCD24148583 |
| Molecular Formula | C11H20O3 |
| Molecular Weight | 200.2747 |
| SMILES | CC(CCC1(CC(C(O)=O)C1)O)(C)C |
| Synonyms | 3-(3,3-dimethylbutyl)-3-hydroxycyclobutane-1-carboxylic acid,
1535471-50-1,
AKOS020277667,
ZINC125049629,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.278g/mol |
| Monoisotopic Mass | 200.141g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number