| CAS Number | 1098004-79-5 |
| Catalog Number | AG0095HL(AGN-PC-0WNNU4) |
| Chemical Name | 1-(3-Pyridinyl)- 1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 1-pyridin-3-ylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C9H7N3O/c13-7-8-4-11-12(6-8)9-2-1-3-10-5-9/h1-7H |
| InChI Key | WFVPWRGLCLBLNE-UHFFFAOYSA-N |
| MDL Number | MFCD18838744 |
| Molecular Formula | C9H7N3O |
| Molecular Weight | 173.1714 |
| SMILES | O=CC1=CN(C2=CC=CN=C2)N=C1 |
| Synonyms | 1-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde,
1098004-79-5,
1-(3-pyridinyl)- 1H-pyrazole-4-carbaldehyde,
SCHEMBL18586422,
DTXSID70712385,
ZINC68590434,
AKOS022174996,
AJ-117120,
AM20050665,
ST24037662,
EN300-76137,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.175g/mol |
| Monoisotopic Mass | 173.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
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