| CAS Number | 102297-62-1 |
| Catalog Number | AG0091Q5(AGN-PC-0N8A2R) |
| Chemical Name | 4-Acetyl-3-hydroxybenzoic acid |
| IUPAC Name | 4-acetyl-3-hydroxybenzoic acid |
| InChI | InChI=1S/C9H8O4/c1-5(10)7-3-2-6(9(12)13)4-8(7)11/h2-4,11H,1H3,(H,12,13) |
| InChI Key | MKTAASUBWXZBNB-UHFFFAOYSA-N |
| MDL Number | MFCD00854034 |
| Molecular Formula | C9H8O4 |
| Molecular Weight | 180.1574 |
| SMILES | C(C)(=O)C1=C(C=C(C(=O)O)C=C1)O |
| Synonyms | 4-acetyl-3-hydroxybenzoic acid,
102297-62-1,
3-hydroxy-4-acetylbenzoic acid,
4-acetyl-3-hydroxy-benzoic Acid,
SCHEMBL1561232,
MKTAASUBWXZBNB-UHFFFAOYSA-N,
ZINC39148480,
AKOS022640425,
FT-0726567,
Z2045034967,
CID10654947,
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| Complexity | 224 |
| 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 |
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Certificate of Analysis
Lot Number