| CAS Number | 1361963-60-1 |
| Catalog Number | AG01DVXA |
| Chemical Name | Methyl 2-formyl-5-hydroxybenzoate |
| IUPAC Name | methyl 2-formyl-5-hydroxybenzoate |
| InChI | InChI=1S/C9H8O4/c1-13-9(12)8-4-7(11)3-2-6(8)5-10/h2-5,11H,1H3 |
| InChI Key | JLQYNMGKSATEPO-UHFFFAOYSA-N |
| MDL Number | MFCD24687657 |
| Molecular Formula | C9H8O4 |
| Molecular Weight | 180.1574 |
| SMILES | COC(C1=C(C=O)C=CC(O)=C1)=O |
| Synonyms | methyl 2-formyl-5-hydroxybenzoate,
1361963-60-1,
Methyl 5-hydroxy-2-formylbenzoate,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.159g/mol |
| Monoisotopic Mass | 180.042g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number