| CAS Number | 1517224-31-5 |
| Catalog Number | AG01BRSM |
| Chemical Name | 3-(4-Hydroxyphenyl)-2,2-dimethylpropanoic Acid |
| IUPAC Name | 3-(4-hydroxyphenyl)-2,2-dimethylpropanoic acid |
| InChI | InChI=1S/C11H14O3/c1-11(2,10(13)14)7-8-3-5-9(12)6-4-8/h3-6,12H,7H2,1-2H3,(H,13,14) |
| InChI Key | AQQPNKHRKGOPQX-UHFFFAOYSA-N |
| MDL Number | MFCD23836157 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | CC(C(O)=O)(CC1=CC=C(O)C=C1)C |
| Synonyms | 3-(4-hydroxyphenyl)-2,2-dimethylpropanoic acid,
1517224-31-5,
SCHEMBL11596247,
ZINC60160483,
AKOS018662289,
Z2754447780,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.23g/mol |
| Monoisotopic Mass | 194.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number