| CAS Number | 1864013-92-2 |
| Catalog Number | AG00J2N9(AGN-PC-0WRAPI) |
| Chemical Name | 1-(cyclopropylmethyl)-2,5-azepanedione |
| IUPAC Name | 1-(cyclopropylmethyl)azepane-2,5-dione |
| InChI | InChI=1S/C10H15NO2/c12-9-3-4-10(13)11(6-5-9)7-8-1-2-8/h8H,1-7H2 |
| InChI Key | QMINNEFYQVYJBM-UHFFFAOYSA-N |
| MDL Number | MFCD28977337 |
| Molecular Formula | C10H15NO2 |
| Molecular Weight | 181.2316 |
| SMILES | N1(CCC(CCC1=O)=O)CC1CC1 |
| Synonyms | 1-(Cyclopropylmethyl)-2,5-azepanedione,
1864013-92-2,
1-(CYCLOPROPYLMETHYL)AZEPANE-2,5-DIONE,
ZX-CM010197,
MFCD28977337,
AKOS030631132,
ZINC252497661,
FCH4204903,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.235g/mol |
| Monoisotopic Mass | 181.11g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number