| CAS Number | 258273-32-4 |
| Catalog Number | AG00C15K(AGN-PC-0R1P27) |
| Chemical Name | 3-Cyano-4-ethoxybenzoic acid |
| IUPAC Name | 3-cyano-4-ethoxybenzoic acid |
| InChI | InChI=1S/C10H9NO3/c1-2-14-9-4-3-7(10(12)13)5-8(9)6-11/h3-5H,2H2,1H3,(H,12,13) |
| InChI Key | PNGOHGRLVRKADR-UHFFFAOYSA-N |
| MDL Number | MFCD09271828 |
| Molecular Formula | C10H9NO3 |
| Molecular Weight | 191.1834 |
| SMILES | C(#N)C=1C=C(C(=O)O)C=CC1OCC |
| Synonyms | 3-CYANO-4-ETHOXYBENZOIC ACID,
258273-32-4,
3-cyano-4-ethoxy-benzoic acid,
SCHEMBL1402221,
CTK8H8686,
DTXSID50591539,
PNGOHGRLVRKADR-UHFFFAOYSA-N,
FCH868191,
ZINC36196370,
AKOS006331624,
ACM258273324,
AN-29341,
FT-0714457,
273C324,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.186g/mol |
| Monoisotopic Mass | 191.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number