| CAS Number | 1094217-59-0 |
| Catalog Number | AG008TO1(AGN-PC-0WD3ZE) |
| Chemical Name | 3-(3-HYDROXYPHENYL)-1-PYRROLIDINECARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER |
| IUPAC Name | tert-butyl 3-(3-hydroxyphenyl)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-8-7-12(10-16)11-5-4-6-13(17)9-11/h4-6,9,12,17H,7-8,10H2,1-3H3 |
| InChI Key | OREMPYMNOPZBEM-UHFFFAOYSA-N |
| MDL Number | MFCD11519418 |
| Molecular Formula | C15H21NO3 |
| Molecular Weight | 263.3321 |
| SMILES | O=C(N1CC(C2=CC=CC(O)=C2)CC1)OC(C)(C)C |
| Synonyms | 1094217-59-0,
tert-Butyl 3-(3-hydroxyphenyl)pyrrolidine-1-carboxylate,
3-(3-HYDROXYPHENYL)-1-PYRROLIDINECARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER,
DTXSID40857358,
CS-D0334,
MFCD11519418,
AKOS022175570,
AK143031,
AS-42117,
AX8282591,
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| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.337g/mol |
| Monoisotopic Mass | 263.152g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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