| CAS Number | 1823331-06-1 |
| Catalog Number | AG01FHAZ(AGN-PC-3H5ELA) |
| Chemical Name | 4-(Bicyclo[1.1.1]pentan-1-yl)benzoic acid |
| IUPAC Name | 4-(1-bicyclo[1.1.1]pentanyl)benzoic acid |
| InChI | InChI=1S/C12H12O2/c13-11(14)9-1-3-10(4-2-9)12-5-8(6-12)7-12/h1-4,8H,5-7H2,(H,13,14) |
| InChI Key | RLBULJYSXOZSPR-UHFFFAOYSA-N |
| MDL Number | MFCD31728786 |
| Molecular Formula | C12H12O2 |
| Molecular Weight | 188.2225 |
| SMILES | |
| Synonyms | 4-(Bicyclo[1.1.1]pentan-1-yl)benzoic acid,
1823331-06-1,
ZINC238687650,
FCH2518222,
OR312395,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.08373g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.22g/mol |
| Monoisotopic Mass | 188.08373g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number