| CAS Number | 871013-92-2 |
| Catalog Number | AG0039XB(AGN-PC-0WCXO9) |
| Chemical Name | tert-Butyl 4-hydroxyisoindoline-2-carboxylate |
| IUPAC Name | tert-butyl 4-hydroxy-1,3-dihydroisoindole-2-carboxylate |
| InChI | InChI=1S/C13H17NO3/c1-13(2,3)17-12(16)14-7-9-5-4-6-11(15)10(9)8-14/h4-6,15H,7-8H2,1-3H3 |
| InChI Key | KAWGDHUTSZFFIP-UHFFFAOYSA-N |
| MDL Number | MFCD10700131 |
| Molecular Formula | C13H17NO3 |
| Molecular Weight | 235.2790 |
| SMILES | O=C(N1CC2=C(C(O)=CC=C2)C1)OC(C)(C)C |
| Synonyms | 871013-92-2,
tert-Butyl 4-hydroxyisoindoline-2-carboxylate,
tert-butyl 4-hydroxy-2,3-dihydro-1H-isoindole-2-carboxylate,
SCHEMBL15893734,
KAWGDHUTSZFFIP-UHFFFAOYSA-N,
KS-000007YA,
MFCD10700131,
AKOS025396251,
ZINC148971175,
CS-W018410,
AS-52743,
2-Boc-4-Hydroxy-2,3-dihydro-1H-isoindole,
TERT-BUTYL 4-HYDROXY-1,3-DIHYDROISOINDOLE-2-CARBOXYLATE,
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| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.283g/mol |
| Monoisotopic Mass | 235.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number