| CAS Number | 67127-83-7 |
| Catalog Number | AG00642R(AGN-PC-00KIZI) |
| Chemical Name | 3-Formyl-2-hydroxy-5-methylbenzoic acid |
| IUPAC Name | 3-formyl-2-hydroxy-5-methylbenzoic acid |
| InChI | InChI=1S/C9H8O4/c1-5-2-6(4-10)8(11)7(3-5)9(12)13/h2-4,11H,1H3,(H,12,13) |
| InChI Key | CNLMEVZLTPWXQO-UHFFFAOYSA-N |
| MDL Number | MFCD20638608 |
| Molecular Formula | C9H8O4 |
| Molecular Weight | 180.1574 |
| SMILES | CC1=CC(C(O)=O)=C(O)C(C=O)=C1 |
| Synonyms | 3-formyl-2-hydroxy-5-methylbenzoic acid,
67127-83-7,
Benzoic acid, 3-formyl-2-hydroxy-5-methyl-,
SCHEMBL11557582,
3-Formyl-5-methylsalicylic acid,
CTK1H8659,
DTXSID10515599,
CNLMEVZLTPWXQO-UHFFFAOYSA-N,
ZINC39374997,
AKOS030589135,
2-Hydroxy-3-formyl-5-methylbenzoic acid,
benzoic acid,3-formyl-2-hydroxy-5-methyl-,
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| Complexity | 214 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.159g/mol |
| Monoisotopic Mass | 180.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number