| CAS Number | 4295-51-6 |
| Catalog Number | AG019V91(AGN-PC-0JMJ40) |
| Chemical Name | 3-ethyl-2-hydroxybenzoic acid |
| IUPAC Name | 3-ethyl-2-hydroxybenzoic acid |
| InChI | InChI=1S/C9H10O3/c1-2-6-4-3-5-7(8(6)10)9(11)12/h3-5,10H,2H2,1H3,(H,11,12) |
| InChI Key | ZTGYRAPTDJTYGC-UHFFFAOYSA-N |
| MDL Number | MFCD11203612 |
| Molecular Formula | C9H10O3 |
| Molecular Weight | 166.1739 |
| NSC Number | 408142 |
| SMILES | CCC1=CC=CC(=C1O)C(=O)O |
| Synonyms | 3-ethyl-2-hydroxybenzoic acid,
4295-51-6,
3-ethylsalicylic acid,
NSC408142,
AC1L8A1E,
SCHEMBL39623,
AC1Q2T58,
CTK6D2151,
DTXSID00324990,
ZTGYRAPTDJTYGC-UHFFFAOYSA-N,
ZINC1600326,
AKOS009278237,
MB09458,
MCULE-8906137113,
NE48772,
NSC-408142,
EN300-44121,
Z451350238,
CID348692,
|
| 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 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number