| CAS Number | 192661-39-5 |
| Catalog Number | AG01C21C(AGN-PC-0201CR) |
| Chemical Name | 3-(1-Methyl-1H-pyrazol-4-yl)propanal |
| IUPAC Name | 3-(1-methylpyrazol-4-yl)propanal |
| InChI | InChI=1S/C7H10N2O/c1-9-6-7(5-8-9)3-2-4-10/h4-6H,2-3H2,1H3 |
| InChI Key | SMHZEDATPGQPHV-UHFFFAOYSA-N |
| MDL Number | MFCD16824625 |
| Molecular Formula | C7H10N2O |
| Molecular Weight | 138.1671 |
| SMILES | CN1N=CC(CCC=O)=C1 |
| Synonyms | 3-(1-methyl-1H-pyrazol-4-yl)propanal,
192661-39-5,
SCHEMBL7469718,
SMHZEDATPGQPHV-UHFFFAOYSA-N,
ZINC60197317,
AKOS011896515,
3-(1-methyl-1H-pyrazol-4-yl)-1-propanal,
|
| 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 | -0.1 |
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