| CAS Number | 66016-27-1 |
| Catalog Number | AG00FX84(AGN-PC-0JKW5K) |
| Chemical Name | 3-tert-butylcyclobutane-1-carboxylic acid |
| IUPAC Name | 3-tert-butylcyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C9H16O2/c1-9(2,3)7-4-6(5-7)8(10)11/h6-7H,4-5H2,1-3H3,(H,10,11) |
| InChI Key | RWZPVFOKYIJACO-UHFFFAOYSA-N |
| MDL Number | MFCD01734238 |
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.2221 |
| SMILES | CC(C1CC(C(O)=O)C1)(C)C |
| Synonyms | 66016-27-1,
3-tert-butylcyclobutane-1-carboxylic acid,
3-tert-Butyl-cyclobutanecarboxylic acid,
CYCLOBUTANECARBOXYLIC ACID, 3-tert-BUTYL-,
3-(1,1-Dimethylethyl)-cyclobutanecarboxylic acid,
3-tert-Butylcyclobutanecarboxylic acid,
AC1L2ISL,
SCHEMBL12384655,
SCHEMBL12424332,
SCHEMBL15925067,
DTXSID10216231,
ZINC1845021,
AKOS011346385,
LS-55848,
CID47805,
3-tert-Butylcyclobutanecarboxylicacid,
C9-H16-O2,
3-(tert-butyl)cyclobutanecarboxylic acid,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.225g/mol |
| Monoisotopic Mass | 156.115g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number