| CAS Number | 1357352-32-9 |
| Catalog Number | AG00HUCP(AGN-PC-0WG3VQ) |
| Chemical Name | 3-Ethoxy-4-Formyl-Benzoic Acid Methyl Ester |
| IUPAC Name | methyl 3-ethoxy-4-formylbenzoate |
| InChI | InChI=1S/C11H12O4/c1-3-15-10-6-8(11(13)14-2)4-5-9(10)7-12/h4-7H,3H2,1-2H3 |
| InChI Key | UIOIPBDTRCVPNJ-UHFFFAOYSA-N |
| MDL Number | MFCD23378475 |
| Molecular Formula | C11H12O4 |
| Molecular Weight | 208.2106 |
| SMILES | CCOc1cc(ccc1C=O)C(=O)OC |
| Synonyms | 3-Ethoxy-4-formyl-benzoic acid methyl ester,
1357352-32-9,
Methyl 3-ethoxy-4-formylbenzoate,
MFCD23378475,
ZINC91305140,
AM805963,
AS-39820,
CS-0038638,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.213g/mol |
| Monoisotopic Mass | 208.074g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number