| CAS Number | 1612885-87-6 |
| Catalog Number | AG01BXGX |
| Chemical Name | (1s,3s)-3-hydroxy-1-phenylcyclobutane-1-carboxylic acid |
| IUPAC Name | 3-hydroxy-1-phenylcyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C11H12O3/c12-9-6-11(7-9,10(13)14)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14) |
| InChI Key | MBOADLJJMFPKKD-UHFFFAOYSA-N |
| MDL Number | MFCD30497677 |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.2112 |
| SMILES | O[C@@H]1C[C@](C2=CC=CC=C2)(C(O)=O)C1 |
| Synonyms | 3-hydroxy-1-phenylcyclobutane-1-carboxylic acid,
1612885-87-6,
SCHEMBL15215644,
SCHEMBL17222224,
AKOS014776179,
ZINC536949709,
1-Phenyl-3alpha-hydroxycyclobutane-1beta-carboxylic acid,
(1S,3s)-3-hydroxy-1-phenylcyclobutane-1-carboxylic acid,
1-Phenyl-3alpha-hydroxycyclobutane-1alpha-carboxylic acid,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.214g/mol |
| Monoisotopic Mass | 192.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number