| CAS Number | 104175-23-7 |
| Catalog Number | AG003AQF(AGN-PC-02ZBTF) |
| Chemical Name | 2,4-Diethylbenzoic acid |
| IUPAC Name | 2,4-diethylbenzoic acid |
| InChI | InChI=1S/C11H14O2/c1-3-8-5-6-10(11(12)13)9(4-2)7-8/h5-7H,3-4H2,1-2H3,(H,12,13) |
| InChI Key | SQGIOBQKNXOJTC-UHFFFAOYSA-N |
| MDL Number | MFCD20641288 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.2277 |
| SMILES | CCc1ccc(C(O)=O)c(CC)c1 |
| Synonyms | 2,4-diethylbenzoic acid,
104175-23-7,
SCHEMBL3385017,
MFCD20641288,
ZINC143241062,
DA-48130,
CS-0037419,
FT-0759378,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.231g/mol |
| Monoisotopic Mass | 178.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number