| CAS Number | 915924-81-1 |
| Catalog Number | AG006FWC(AGN-PC-0WB3K0) |
| Chemical Name | 1-((Tetrahydro-2H-pyran-2-yl)methyl)azepane-2,5-dione |
| IUPAC Name | 1-(oxan-2-ylmethyl)azepane-2,5-dione |
| InChI | InChI=1S/C12H19NO3/c14-10-4-5-12(15)13(7-6-10)9-11-3-1-2-8-16-11/h11H,1-9H2 |
| InChI Key | NTCJVQCRBVNEAZ-UHFFFAOYSA-N |
| MDL Number | MFCD08059951 |
| Molecular Formula | C12H19NO3 |
| Molecular Weight | 225.2842 |
| SMILES | N1(CCC(CCC1=O)=O)CC1CCCCO1 |
| Synonyms | 915924-81-1,
1-(TETRAHYDRO-2H-PYRAN-2-YLMETHYL)AZEPANE-2,5-DIONE,
1-((Tetrahydro-2H-pyran-2-yl)methyl)azepane-2,5-dione,
1-(oxan-2-ylmethyl)azepane-2,5-dione,
SCHEMBL8208385,
CTK5H0163,
DTXSID00660744,
CHEMBRDG-BB 4014696,
ZX-CM004372,
MFCD08059951,
AKOS022183840,
1-[(Oxan-2-yl)methyl]azepane-2,5-dione,
Y-3504,
1-(Tetrahydro-2H-pyran-2-ylmethyl)-2,5-azepanedione,
4014696-25G,
4014696-50G,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.288g/mol |
| Monoisotopic Mass | 225.136g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
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