| CAS Number | 4785-56-2 |
| Catalog Number | AG01AFSH(AGN-PC-0LXAB6) |
| Chemical Name | 2-Formyl-5-methoxybenzoic acid |
| IUPAC Name | 2-formyl-5-methoxybenzoic acid |
| InChI | InChI=1S/C9H8O4/c1-13-7-3-2-6(5-10)8(4-7)9(11)12/h2-5H,1H3,(H,11,12) |
| InChI Key | LMWSIQGMRIVDCJ-UHFFFAOYSA-N |
| MDL Number | MFCD06739603 |
| Molecular Formula | C9H8O4 |
| Molecular Weight | 180.1574 |
| SMILES | C(=O)C1=C(C(=O)O)C=C(C=C1)OC |
| Synonyms | 2-formyl-5-methoxybenzoic acid,
2-formyl-5-methoxy-benzoic Acid,
4785-56-2,
2-carboxy-4-methoxybenzaldehyde,
5-methoxyphthalaldehydic acid,
AC1OGVBY,
SCHEMBL548189,
CTK7A0551,
DTXSID40428345,
LMWSIQGMRIVDCJ-UHFFFAOYSA-N,
ZINC4299107,
2- carboxy -4- methoxybenzaldehyde,
MFCD06739603,
AKOS005209320,
DA-42352,
FT-0712897,
CID7176205,
|
| 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