| CAS Number | 1250606-59-7 |
| Catalog Number | AG01AI2A(AGN-PC-0WCLOI) |
| Chemical Name | 3-Ethoxy-4-methyl-benzoic acid |
| IUPAC Name | 3-ethoxy-4-methylbenzoic acid |
| InChI | InChI=1S/C10H12O3/c1-3-13-9-6-8(10(11)12)5-4-7(9)2/h4-6H,3H2,1-2H3,(H,11,12) |
| InChI Key | VLHHMGNQUJZGHE-UHFFFAOYSA-N |
| MDL Number | MFCD14647108 |
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.2005 |
| SMILES | c1(c(ccc(c1)C(=O)O)C)OCC |
| Synonyms | 3-ethoxy-4-methylbenzoic acid,
1250606-59-7,
3-Ethoxy-4-methyl-benzoic acid,
SCHEMBL2355196,
ZINC49934231,
AKOS008077819,
MCULE-3576934926,
NE39228,
EN300-76512,
A1-01360,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.203g/mol |
| Monoisotopic Mass | 180.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number