| CAS Number | 881986-39-6 |
| Catalog Number | AG008BIG(AGN-PC-0WB3RW) |
| Chemical Name | 5-(1-Oxo-1,3-dihydro-2H-isoindol-2-YL)pentanoic acid |
| IUPAC Name | 5-(3-oxo-1H-isoindol-2-yl)pentanoic acid |
| InChI | InChI=1S/C13H15NO3/c15-12(16)7-3-4-8-14-9-10-5-1-2-6-11(10)13(14)17/h1-2,5-6H,3-4,7-9H2,(H,15,16) |
| InChI Key | HXQRGRXVOJSQBK-UHFFFAOYSA-N |
| MDL Number | MFCD07528336 |
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.2631 |
| SMILES | C1(=O)C2=CC=CC=C2CN1CCCCC(O)=O |
| Synonyms | 881986-39-6,
5-(1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)PENTANOIC ACID,
5-(1-Oxoisoindolin-2-yl)pentanoic acid,
CTK5F9490,
DTXSID30596406,
ZX-CM005285,
MFCD07528336,
ZINC19091246,
AKOS002846393,
AJ-71573,
BC4212619,
Y-3128,
CHEMBRDG-BB4023505,
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| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.267g/mol |
| Monoisotopic Mass | 233.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number