| CAS Number | 59010-46-7 |
| Catalog Number | AG00IAHO(AGN-PC-0SR27I) |
| Chemical Name | 4-(2-Hydroxy-4-methylphenyl)-4-oxobutanoic acid |
| IUPAC Name | 4-(2-hydroxy-4-methylphenyl)-4-oxobutanoic acid |
| InChI | InChI=1S/C11H12O4/c1-7-2-3-8(10(13)6-7)9(12)4-5-11(14)15/h2-3,6,13H,4-5H2,1H3,(H,14,15) |
| InChI Key | VEMILKYHFUPAJA-UHFFFAOYSA-N |
| MDL Number | MFCD01104433 |
| Molecular Formula | C11H12O4 |
| Molecular Weight | 208.2106 |
| SMILES | OC(=O)CCC(=O)c1ccc(cc1O)C |
| Synonyms | 4-(2-hydroxy-4-methylphenyl)-4-oxobutanoic acid,
59010-46-7,
AC1MW4V2,
Salor-int l497967-1ea,
SCHEMBL11581541,
VEMILKYHFUPAJA-UHFFFAOYSA-N,
ZINC5542528,
MFCD01104433,
AKOS022649267,
MCULE-2144936141,
3-(2-Hydroxy-4-methylbenzoyl)propionic acid,
ST50998398,
CID3693881,
4-(2-hydroxy-4-methyl-phenyl)-4-oxo-butanoic Acid,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.213g/mol |
| Monoisotopic Mass | 208.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number