| CAS Number | 1196053-06-1 |
| Catalog Number | AG000P9X(AGN-PC-0WNGTA) |
| Chemical Name | tert-Butyl N-[(1R,2S)-rel-2-(4-hydroxyphenyl)cyclopropyl]carbamate |
| IUPAC Name | tert-butyl N-[(1R,2S)-2-(4-hydroxyphenyl)cyclopropyl]carbamate |
| InChI | InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-12-8-11(12)9-4-6-10(16)7-5-9/h4-7,11-12,16H,8H2,1-3H3,(H,15,17)/t11-,12+/m0/s1 |
| InChI Key | UHGRVKQMNJTTRU-NWDGAFQWSA-N |
| MDL Number | MFCD29918578 |
| Molecular Formula | C14H19NO3 |
| Molecular Weight | 249.3056 |
| SMILES | CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(O)cc1 |
| Synonyms | 1196053-06-1,
tert-Butyl N-[(1R,2S)-rel-2-(4-hydroxyphenyl)cyclopropyl]carbamate,
TERT-BUTYL N-[(1R,2S)-2-(4-HYDROXYPHENYL)CYCLOPROPYL]CARBAMATE,
SCHEMBL17718439,
UHGRVKQMNJTTRU-NWDGAFQWSA-N,
MFCD28501687,
ZINC213111245,
AS-52818,
CS-0048039,
trans-Boc-amino-2-(4-hydroxyphenyl)cyclopropane,
tert-butyl (trans)-2-(4-hydroxyphenyl)cyclopropylcarbamate,
tert-butyl(trans)-2-(4-hydroxyphenyl)cyclopropylcarbamate,
tert-butyl-(trans)-2-(4-hydroxyphenyl)cyclopropylcarbamate,
tert-butyl ((trans)-2-(4-hydroxyphenyl)cyclopropyl)carbamate,
tert-Butyl ((1R,2S)-2-(4-hydroxyphenyl)cyclopropyl)carbamate,
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| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.31g/mol |
| Monoisotopic Mass | 249.136g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number