| CAS Number | 60373-42-4 |
| Catalog Number | AG01BPMC(AGN-PC-00UOYL) |
| Chemical Name | 2-Formyl-4-methoxybenzoic acid |
| IUPAC Name | 2-formyl-4-methoxybenzoic acid |
| InChI | InChI=1S/C9H8O4/c1-13-7-2-3-8(9(11)12)6(4-7)5-10/h2-5H,1H3,(H,11,12) |
| InChI Key | WUCJEQDCOQYQHH-UHFFFAOYSA-N |
| MDL Number | MFCD18453659 |
| Molecular Formula | C9H8O4 |
| Molecular Weight | 180.1574 |
| SMILES | O=C(O)C1=CC=C(OC)C=C1C=O |
| Synonyms | 2-Formyl-4-methoxybenzoic acid,
60373-42-4,
4-methoxyphthalaldehydic acid,
SCHEMBL4733806,
WUCJEQDCOQYQHH-UHFFFAOYSA-N,
MFCD18453659,
ZINC60273787,
AKOS005209321,
|
| 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
Certificate of Analysis
Lot Number