| CAS Number | 19936-19-7 |
| Catalog Number | AG01B7TQ |
| Chemical Name | 3-Cyclobutylbenzoic acid |
| IUPAC Name | 3-cyclobutylbenzoic acid |
| InChI | InChI=1S/C11H12O2/c12-11(13)10-6-2-5-9(7-10)8-3-1-4-8/h2,5-8H,1,3-4H2,(H,12,13) |
| InChI Key | UJQRIEBZAHFCEV-UHFFFAOYSA-N |
| MDL Number | MFCD20651608 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | OC(C1=CC(C2CCC2)=CC=C1)=O |
| Synonyms | 3-cyclobutylbenzoic acid,
3-Cyclobutyl-benzoic acid,
19936-19-7,
SCHEMBL15019437,
UJQRIEBZAHFCEV-UHFFFAOYSA-N,
ZINC88190013,
AKOS023570781,
Z2510258176,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.215g/mol |
| Monoisotopic Mass | 176.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number