| CAS Number | 1269025-34-4 |
| Catalog Number | AG00HRLN |
| Chemical Name | tert-Butyl 4-(2-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(2-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate |
| InChI | InChI=1S/C16H21NO3/c1-16(2,3)20-15(19)17-10-8-12(9-11-17)13-6-4-5-7-14(13)18/h4-8,18H,9-11H2,1-3H3 |
| InChI Key | BHJRWBQKTOWRSI-UHFFFAOYSA-N |
| MDL Number | MFCD28397303 |
| Molecular Formula | C16H21NO3 |
| Molecular Weight | 275.3428 |
| SMILES | O=C(N1CCC(=CC1)c1ccccc1O)OC(C)(C)C |
| Synonyms | tert-butyl 4-(2-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate,
1269025-34-4,
SCHEMBL12712612,
BHJRWBQKTOWRSI-UHFFFAOYSA-N,
ZINC148804035,
4-(2-hydroxy-phenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester,
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| Complexity | 384 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.348g/mol |
| Monoisotopic Mass | 275.152g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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