| CAS Number | 105211-75-4 |
| Catalog Number | AG009561(AGN-PC-03BDL9) |
| Chemical Name | 3-Ethyl-4-hydroxybenzoic acid |
| IUPAC Name | 3-ethyl-4-hydroxybenzoic acid |
| InChI | InChI=1S/C9H10O3/c1-2-6-5-7(9(11)12)3-4-8(6)10/h3-5,10H,2H2,1H3,(H,11,12) |
| InChI Key | XSAVLGOTFYRGCX-UHFFFAOYSA-N |
| MDL Number | MFCD11225938 |
| Molecular Formula | C9H10O3 |
| Molecular Weight | 166.1739 |
| SMILES | CCC1=C(O)C=CC(C(O)=O)=C1 |
| Synonyms | 3-ethyl-4-hydroxybenzoic acid,
105211-75-4,
SCHEMBL487507,
XSAVLGOTFYRGCX-UHFFFAOYSA-N,
ZINC35585953,
AKOS024390547,
MB09659,
MCULE-7605158487,
ST51045798,
Z2146514926,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.176g/mol |
| Monoisotopic Mass | 166.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number