| CAS Number | 165686-41-9 |
| Catalog Number | AG019YXW |
| Chemical Name | 1,4,5,6-Tetrahydro-7h-indazol-7-one |
| IUPAC Name | 1,4,5,6-tetrahydroindazol-7-one |
| InChI | InChI=1S/C7H8N2O/c10-6-3-1-2-5-4-8-9-7(5)6/h4H,1-3H2,(H,8,9) |
| InChI Key | SWTZTUJBLAOEBS-UHFFFAOYSA-N |
| MDL Number | MFCD24445480 |
| Molecular Formula | C7H8N2O |
| Molecular Weight | 136.1512 |
| SMILES | O=C1CCCC2=C1NN=C2 |
| Synonyms | 165686-41-9,
1,4,5,6-tetrahydro-7h-indazol-7-one,
4,5,6,7-tetrahydro-1H-indazol-7-one,
SCHEMBL6792890,
MFCD24445480,
ZINC82410877,
AKOS022719026,
AKOS023402407,
2,4,5,6-Tetrahydro-7H-indazol-7-one,
AS-43760,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 136.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 136.154g/mol |
| Monoisotopic Mass | 136.064g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number