| CAS Number | 1435933-04-2 |
| Catalog Number | AG00HWXY(AGN-PC-0WR8PQ) |
| Chemical Name | Tert-butyl 4-hydroxy-2-methoxyphenylcarbamate |
| IUPAC Name | tert-butyl N-(4-hydroxy-2-methoxyphenyl)carbamate |
| InChI | InChI=1S/C12H17NO4/c1-12(2,3)17-11(15)13-9-6-5-8(14)7-10(9)16-4/h5-7,14H,1-4H3,(H,13,15) |
| InChI Key | UUWWYFQJCAFFSU-UHFFFAOYSA-N |
| MDL Number | MFCD27979884 |
| Molecular Formula | C12H17NO4 |
| Molecular Weight | 239.2677 |
| SMILES | COC1=C(NC(OC(C)(C)C)=O)C=CC(O)=C1 |
| Synonyms | tert-butyl 4-hydroxy-2-methoxyphenylcarbamate,
1435933-04-2,
ZINC261494315,
FT-0766202,
(4-hydroxy-2-methoxyphenyl)carbamic acid tert-butyl ester,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.271g/mol |
| Monoisotopic Mass | 239.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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