| CAS Number | 71510-42-4 |
| Catalog Number | AG01AURG(AGN-PC-0053WV) |
| Chemical Name | 2-(6-oxoheptyl)-2,3-dihydro-1H-isoindole-1,3-dione |
| IUPAC Name | 2-(6-oxoheptyl)isoindole-1,3-dione |
| InChI | InChI=1S/C15H17NO3/c1-11(17)7-3-2-6-10-16-14(18)12-8-4-5-9-13(12)15(16)19/h4-5,8-9H,2-3,6-7,10H2,1H3 |
| InChI Key | IIZCUXFEKAXMAG-UHFFFAOYSA-N |
| MDL Number | MFCD29041183 |
| Molecular Formula | C15H17NO3 |
| Molecular Weight | 259.3004 |
| SMILES | CC(CCCCCN1C(=O)C2=C(C=CC=C2)C1=O)=O |
| Synonyms | 71510-42-4,
2-(6-oxoheptyl)-2,3-dihydro-1H-isoindole-1,3-dione,
1H-Isoindole-1,3(2H)-dione, 2-(6-oxoheptyl)-,
SCHEMBL10495286,
CTK2G2576,
DTXSID70459889,
ZINC34417789,
AKOS033816308,
2-(6-Oxoheptyl)-1,3-dihydro-2H-isoindole-1,3-dione,
Z2235790868,
2-(6-oxoheptyl)isoindole-1,3-dione,
2-(6-oxoheptyl)isoindoline-1,3-dione,
CID11242386,
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| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.305g/mol |
| Monoisotopic Mass | 259.121g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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