| CAS Number | 1082065-98-2 |
| Catalog Number | AG00922B(AGN-PC-04PMD6) |
| Chemical Name | 1-(2-Hydroxyethyl)-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 1-(2-hydroxyethyl)pyrazole-4-carbaldehyde |
| InChI | InChI=1S/C6H8N2O2/c9-2-1-8-4-6(5-10)3-7-8/h3-5,9H,1-2H2 |
| InChI Key | VFYTYIOYCWGXQW-UHFFFAOYSA-N |
| MDL Number | MFCD09941789 |
| Molecular Formula | C6H8N2O2 |
| Molecular Weight | 140.1399 |
| SMILES | C(CO)N1C=C(C=N1)C=O |
| Synonyms | 1-(2-Hydroxyethyl)-1H-pyrazole-4-carbaldehyde,
1082065-98-2,
SCHEMBL122032,
CTK8B5483,
DTXSID90640878,
VFYTYIOYCWGXQW-UHFFFAOYSA-N,
ANW-48893,
ZINC19486351,
AKOS000183033,
AJ-73712,
BR-41360,
TC-137638,
ST24037123,
X8868,
1-(2-hydroxyethyl)-1h-pyrazol-4-carbaldehyde,
S-6582,
1-(2-Hydroxy-ethyl)-1H-pyrazole-4-carbaldehyde,
1-(2-Hydroxyethyl)-1H-pyrazole-4-carbaldehyde, AldrichCPR,
C6H8N2O2,
|
| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.142g/mol |
| Monoisotopic Mass | 140.059g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number