| CAS Number | 1006458-89-4 |
| Catalog Number | AG00JEQF(AGN-PC-0WBA9P) |
| Chemical Name | 1-Propyl-1H-pyrazole-5-carbaldehyde |
| IUPAC Name | 2-propylpyrazole-3-carbaldehyde |
| InChI | InChI=1S/C7H10N2O/c1-2-5-9-7(6-10)3-4-8-9/h3-4,6H,2,5H2,1H3 |
| InChI Key | RADYDRNLVYMXFZ-UHFFFAOYSA-N |
| MDL Number | MFCD04970273 |
| Molecular Formula | C7H10N2O |
| Molecular Weight | 138.1671 |
| SMILES | CCCN1C(=CC=N1)C=O |
| Synonyms | 1-propyl-1H-pyrazole-5-carbaldehyde,
1006458-89-4,
1-propylpyrazole-5-carbaldehyde,
CTK6E5104,
ZINC2538045,
MFCD04970273,
SBB022381,
STK349747,
2-Propyl-2H-pyrazole-3-carbaldehyde,
AKOS000310427,
MCULE-3159146870,
ST45134532,
1-Propyl-1H-pyrazole-5-carbaldehyde, AldrichCPR,
F2169-1060,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.17g/mol |
| Monoisotopic Mass | 138.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number