| CAS Number | 633300-30-8 |
| Catalog Number | AG01BXH8 |
| Chemical Name | 5-Formyl-2,4-dimethoxybenzoic acid |
| IUPAC Name | 5-formyl-2,4-dimethoxybenzoic acid |
| InChI | InChI=1S/C10H10O5/c1-14-8-4-9(15-2)7(10(12)13)3-6(8)5-11/h3-5H,1-2H3,(H,12,13) |
| InChI Key | VZKWLIOJJAETJI-UHFFFAOYSA-N |
| MDL Number | MFCD01237452 |
| Molecular Formula | C10H10O5 |
| Molecular Weight | 210.1834 |
| SMILES | COC1=CC(=C(C=C1C=O)C(=O)O)OC |
| Synonyms | 5-formyl-2,4-dimethoxybenzoic acid,
633300-30-8,
5-formyl-2,4-dimethoxy-benzoic Acid,
AC1N9OTE,
SCHEMBL4367355,
ZINC5512106,
AKOS024342950,
MCULE-6152357900,
CID4388936,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.185g/mol |
| Monoisotopic Mass | 210.053g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number