| CAS Number | 318528-53-9 |
| Catalog Number | AG01FFVT(AGN-PC-0R75I9) |
| Chemical Name | Methyl 3-cyano-4-ethoxybenzoate |
| IUPAC Name | methyl 3-cyano-4-ethoxybenzoate |
| InChI | InChI=1S/C11H11NO3/c1-3-15-10-5-4-8(11(13)14-2)6-9(10)7-12/h4-6H,3H2,1-2H3 |
| InChI Key | QROOLSGRAPIRGK-UHFFFAOYSA-N |
| MDL Number | MFCD09271833 |
| Molecular Formula | C11H11NO3 |
| Molecular Weight | 205.2099 |
| SMILES | |
| Synonyms | methyl 3-cyano-4-ethoxybenzoate,
318528-53-9,
SCHEMBL5874030,
CTK8I1715,
ZINC39099343,
ACM318528539,
Benzoic acid,3-cyano-4-ethoxy-,methyl ester,
FT-0731490,
Benzoicacid,3-cyano-4-ethoxy-,methylester,
Benzoic acid, 3-cyano-4-ethoxy-, methyl ester (9CI),
1262640-93-6,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.213g/mol |
| Monoisotopic Mass | 205.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number