| CAS Number | 82548-54-7 |
| Catalog Number | AG00G8SI |
| Chemical Name | Tert-butyl 2-(3-hydroxyphenyl)acetate |
| IUPAC Name | tert-butyl 2-(3-hydroxyphenyl)acetate |
| InChI | InChI=1S/C12H16O3/c1-12(2,3)15-11(14)8-9-5-4-6-10(13)7-9/h4-7,13H,8H2,1-3H3 |
| InChI Key | FATJQJBKBKEGNL-UHFFFAOYSA-N |
| MDL Number | MFCD19543462 |
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.2536 |
| SMILES | CC(OC(CC1=CC(O)=CC=C1)=O)(C)C |
| Synonyms | tert-butyl 2-(3-hydroxyphenyl)acetate,
82548-54-7,
3-Hydroxy phenyl acetic acid-t-butyl ester,
SCHEMBL10918989,
FATJQJBKBKEGNL-UHFFFAOYSA-N,
ZINC59719485,
AKOS013211441,
DA-41274,
3-hydroxyphenylacetic acid tert-butyl ester,
FT-0724481,
3-Hydroxybenzene 1-acetic acid tert-butyl ester,
A1-09043,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.257g/mol |
| Monoisotopic Mass | 208.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number