| CAS Number | 57704-54-8 |
| Catalog Number | AG00F1AH(AGN-PC-00M7ZQ) |
| Chemical Name | tert-butyl 3-hydroxybenzoate |
| IUPAC Name | tert-butyl 3-hydroxybenzoate |
| InChI | InChI=1S/C11H14O3/c1-11(2,3)14-10(13)8-5-4-6-9(12)7-8/h4-7,12H,1-3H3 |
| InChI Key | XAOVNTXDHGDNBG-UHFFFAOYSA-N |
| MDL Number | MFCD09953071 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | C(=O)(OC(C)(C)C)c1cc(O)ccc1 |
| Synonyms | tert-butyl 3-hydroxybenzoate,
57704-54-8,
XAOVNTXDHGDNBG-UHFFFAOYSA-N,
3-Hydroxybenzoic acid tert-butyl ester,
SCHEMBL68806,
ZINC75596061,
AKOS012296205,
3-hydroxy-benzoic acid tert-butyl ester,
Benzoic acid, 3-hydroxy-, tert.-butyl ester,
Benzoicacid,3-hydroxy-,1,1-dimethylethylester,
Benzoic acid, 3-hydroxy-, 1,1-dimethylethyl ester,
TERT-BUTYL3-HYDROXYBENZOATE,
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| Complexity | 205 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.23g/mol |
| Monoisotopic Mass | 194.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number