| CAS Number | 1177321-94-6 |
| Catalog Number | AG00HE53(AGN-PC-0WB3PN) |
| Chemical Name | 1-(2-hydroxyethyl)-3-methyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 1-(2-hydroxyethyl)-3-methylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C7H10N2O2/c1-6-7(5-11)4-9(8-6)2-3-10/h4-5,10H,2-3H2,1H3 |
| InChI Key | QUSLPCAYDROTTE-UHFFFAOYSA-N |
| MDL Number | MFCD09864400 |
| Molecular Formula | C7H10N2O2 |
| Molecular Weight | 154.1665 |
| SMILES | CC1C(C=O)=CN(CCO)N=1 |
| Synonyms | 1-(2-Hydroxyethyl)-3-methyl-1H-pyrazole-4-carbaldehyde,
1177321-94-6,
ZX-CM005078,
4513AH,
FCH836351,
MFCD09864400,
ZINC19091097,
AKOS006280773,
AJ-71544,
DA-18559,
FT-0721828,
Y-5761,
1-(2-hydroxyethyl)-3-methyl-1h-pyrazole-4-carb-aldehyde,
1-(2-Hydroxyethyl)-3-methyl-1H-pyrazole-4-carbaldehyde, AldrichCPR,
C7H10N2O2,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.169g/mol |
| Monoisotopic Mass | 154.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number