| CAS Number | 1701806-37-2 |
| Catalog Number | AG01C1V4 |
| Chemical Name | Methyl 2-Formyl-4-Hydroxybenzoate |
| IUPAC Name | methyl 2-formyl-4-hydroxybenzoate |
| InChI | InChI=1S/C9H8O4/c1-13-9(12)8-3-2-7(11)4-6(8)5-10/h2-5,11H,1H3 |
| InChI Key | DJJFRPQSYDJWQP-UHFFFAOYSA-N |
| MDL Number | MFCD24681961 |
| Molecular Formula | C9H8O4 |
| Molecular Weight | 180.1574 |
| SMILES | COC(=O)c1ccc(cc1C=O)O |
| Synonyms | methyl 2-formyl-4-hydroxybenzoate,
1701806-37-2,
ZINC238395722,
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| 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 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number