| CAS Number | 131524-43-1 |
| Catalog Number | AG000ZBS(AGN-PC-002IOE) |
| Chemical Name | Benzoic acid, 2-formyl-3-hydroxy-, methyl ester |
| IUPAC Name | methyl 2-formyl-3-hydroxybenzoate |
| InChI | InChI=1S/C9H8O4/c1-13-9(12)6-3-2-4-8(11)7(6)5-10/h2-5,11H,1H3 |
| InChI Key | HFDRLLQFITZSMY-UHFFFAOYSA-N |
| MDL Number | MFCD22665932 |
| Molecular Formula | C9H8O4 |
| Molecular Weight | 180.1574 |
| SMILES | COC(=O)c1cccc(c1C=O)O |
| Synonyms | methyl 2-formyl-3-hydroxybenzoate,
131524-43-1,
Benzoic acid, 2-formyl-3-hydroxy-, methyl ester,
Methyl rhizoglyphinate,
ACMC-20mu54,
SCHEMBL2949095,
CTK0F5369,
DTXSID50563897,
HFDRLLQFITZSMY-UHFFFAOYSA-N,
Methyl 3-hydroxy-2-formylbenzoate,
ZINC15217453,
FT-0752940,
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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 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number