| CAS Number | 77620-05-4 |
| Catalog Number | AG01BNMS |
| Chemical Name | Methyl 2-formyl-5-methoxybenzoate |
| IUPAC Name | methyl 2-formyl-5-methoxybenzoate |
| InChI | InChI=1S/C10H10O4/c1-13-8-4-3-7(6-11)9(5-8)10(12)14-2/h3-6H,1-2H3 |
| InChI Key | FLIQGLSIXZFUCN-UHFFFAOYSA-N |
| MDL Number | MFCD23098280 |
| Molecular Formula | C10H10O4 |
| Molecular Weight | 194.1840 |
| SMILES | COC(C1=C(C=O)C=CC(OC)=C1)=O |
| Synonyms | Methyl 2-formyl-5-methoxybenzoate,
77620-05-4,
Benzoic acid, 2-formyl-5-methoxy-, methyl ester,
SCHEMBL4476198,
2-Formyl-5-methoxybenzoic acid methyl ester,
CS-0043219,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.186g/mol |
| Monoisotopic Mass | 194.058g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number