| CAS Number | 60407-04-7 |
| Catalog Number | AG01BJ0A(AGN-PC-0NK24M) |
| Chemical Name | 2-Formyl-3-methoxybenzoic acid |
| IUPAC Name | 2-formyl-3-methoxybenzoic acid |
| InChI | InChI=1S/C9H8O4/c1-13-8-4-2-3-6(9(11)12)7(8)5-10/h2-5H,1H3,(H,11,12) |
| InChI Key | YIZSVEAVNICESG-UHFFFAOYSA-N |
| MDL Number | MFCD18452452 |
| Molecular Formula | C9H8O4 |
| Molecular Weight | 180.1574 |
| SMILES | COC1=C(C=O)C(C(O)=O)=CC=C1 |
| Synonyms | 2-Formyl-3-methoxybenzoic acid,
60407-04-7,
3-methoxyphthalaldehydic acid,
SCHEMBL11728570,
CTK1J0186,
DTXSID80508317,
YIZSVEAVNICESG-UHFFFAOYSA-N,
Benzoic acid, 2-formyl-3-methoxy-,
ZINC39275149,
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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 | 1.2 |
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Certificate of Analysis
Lot Number