| CAS Number | 1136466-93-7 |
| Catalog Number | AG0096WT(AGN-PC-04D42R) |
| Chemical Name | IDE2 |
| IUPAC Name | 7-(2-cyclopentylidenehydrazinyl)-7-oxoheptanoic acid |
| InChI | InChI=1S/C12H20N2O3/c15-11(8-2-1-3-9-12(16)17)14-13-10-6-4-5-7-10/h1-9H2,(H,14,15)(H,16,17) |
| InChI Key | CVYPYYPTFNVREL-UHFFFAOYSA-N |
| MDL Number | MFCD22683800 |
| Molecular Formula | C12H20N2O3 |
| Molecular Weight | 240.2988 |
| SMILES | OC(CCCCCC(N/N=C1CCCC1)=O)=O |
| Synonyms | IDE 2,
1136466-93-7,
IDE-2,
SCHEMBL1278773,
CHEMBL3183367,
Ald1-H_000499,
Ald1-H_001728,
ZINC95808650,
AKOS024457930,
NCGC00345022-01,
NCGC00345022-02,
Heptanedioic acid-1-(2-cyclopentylidenehydrazide),
7-(2-cyclopentylidenehydrazino)-7-oxoheptanoic acid,
7-Oxo-7-(2-cyclopentylidenehydrazino)heptanoic acid,
J-003000,
7-(2-cyclopentylidenehydrazinyl)-7-oxoheptanoic acid,
BRD-K92196390-001-01-6,
IDE2,
CVYPYYPTFNVREL-UHFFFAOYSA-N,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.303g/mol |
| Monoisotopic Mass | 240.147g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number