| CAS Number | 944718-09-6 |
| Catalog Number | AG005WXB(AGN-PC-0WCZEF) |
| Chemical Name | 2,2-DIMETHYL-PROPIONIC ACID 6-METHOXY-1-OXO-1,3-DIHYDRO-ISOINDOL-2-YLMETHYL ESTER |
| IUPAC Name | (5-methoxy-3-oxo-1H-isoindol-2-yl)methyl 2,2-dimethylpropanoate |
| InChI | InChI=1S/C15H19NO4/c1-15(2,3)14(18)20-9-16-8-10-5-6-11(19-4)7-12(10)13(16)17/h5-7H,8-9H2,1-4H3 |
| InChI Key | PJCIJXQJKZUYMO-UHFFFAOYSA-N |
| MDL Number | MFCD09991673 |
| Molecular Formula | C15H19NO4 |
| Molecular Weight | 277.3157 |
| SMILES | COC1=CC2=C(CN(COC(=O)C(C)(C)C)C2=O)C=C1 |
| Synonyms | 944718-09-6,
(6-Methoxy-1-oxoisoindolin-2-yl)methyl pivalate,
2,2-DIMETHYL-PROPIONIC ACID 6-METHOXY-1-OXO-1,3-DIHYDRO-ISOINDOL-2-YLMETHYL ESTER,
SCHEMBL5955539,
CTK5H6669,
DTXSID80650704,
MFCD09991673,
ZINC16697727,
AKOS022172548,
AJ-69400,
AS-37597,
AX8064604,
(6-Methoxy-1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl 2,2-dimethylpropanoate,
2,2-DIMETHYL-PROPANOIC ACID 6-METHOXY-1-OXO-1,3-DIHYDRO-ISOINDOL-2-YLMETHYL ESTER,
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| Complexity | 388 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.32g/mol |
| Monoisotopic Mass | 277.131g/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 |
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Certificate of Analysis
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