| CAS Number | 1311254-39-3 |
| Catalog Number | AG000VL1(AGN-PC-0WCR8P) |
| Chemical Name | 2H-Isoindole-2,4-dicarboxylic acid, 1,3-dihydro-, 2-(1,1-dimethylethyl) 4-ethyl ester |
| IUPAC Name | 2-O-tert-butyl 4-O-ethyl 1,3-dihydroisoindole-2,4-dicarboxylate |
| InChI | InChI=1S/C16H21NO4/c1-5-20-14(18)12-8-6-7-11-9-17(10-13(11)12)15(19)21-16(2,3)4/h6-8H,5,9-10H2,1-4H3 |
| InChI Key | WJCGBQWIGRDTLW-UHFFFAOYSA-N |
| MDL Number | MFCD19382496 |
| Molecular Formula | C16H21NO4 |
| Molecular Weight | 291.3422 |
| SMILES | CCOC(=O)C1=CC=CC2=C1CN(C2)C(=O)OC(C)(C)C |
| Synonyms | 1311254-39-3,
2-tert-Butyl 4-ethyl isoindoline-2,4-dicarboxylate,
Ethyl N-Boc-isoindoline-4-carboxylate,
MFCD19382496,
ZINC66055074,
AK199513,
AS-36284,
AX8266652,
A-1864,
2H-Isoindole-2,4-dicarboxylic acid, 1,3-dihydro-, 2-(1,1-dimethylethyl) 4-ethyl ester,
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| Complexity | 402 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.347g/mol |
| Monoisotopic Mass | 291.147g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number