| CAS Number | 2438-03-1 |
| Catalog Number | AG00BVFL(AGN-PC-0WAJGQ) |
| Chemical Name | 2-Propylbenzoic acid |
| IUPAC Name | 2-propylbenzoic acid |
| InChI | InChI=1S/C10H12O2/c1-2-5-8-6-3-4-7-9(8)10(11)12/h3-4,6-7H,2,5H2,1H3,(H,11,12) |
| InChI Key | GADSJKKDLMALGL-UHFFFAOYSA-N |
| MDL Number | MFCD11847759 |
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.2011 |
| SMILES | O=C(O)C1=CC=CC=C1CCC |
| Synonyms | 2-PROPYLBENZOIC ACID,
2438-03-1,
2-Propyl-benzoesaure,
2- propylbenzoic acid,
Benzoic acid, 2-propyl-,
SCHEMBL241263,
CTK8E4123,
DTXSID20557642,
ZINC34252971,
AKOS022636807,
SC-14612,
TX-016519,
2-Propylbenzoicacid,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.204g/mol |
| Monoisotopic Mass | 164.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number