| CAS Number | 1187732-72-4 |
| Catalog Number | AG008XTE(AGN-PC-09TBJN) |
| Chemical Name | 1-(1-Ethyl-4-hydroxy-5-methyl-1H-pyrazol-3-yl)ethanone |
| IUPAC Name | 1-(1-ethyl-4-hydroxy-5-methylpyrazol-3-yl)ethanone |
| InChI | InChI=1S/C8H12N2O2/c1-4-10-5(2)8(12)7(9-10)6(3)11/h12H,4H2,1-3H3 |
| InChI Key | WCHCXHRUMICFTE-UHFFFAOYSA-N |
| MDL Number | MFCD11044344 |
| Molecular Formula | C8H12N2O2 |
| Molecular Weight | 168.1931 |
| SMILES | CCN1C(=C(C(=N1)C(=O)C)O)C |
| Synonyms | 1-(1-Ethyl-4-hydroxy-5-methyl-1H-pyrazol-3-yl)ethanone,
1187732-72-4,
1-(1-Ethyl-4-hydroxy-5-methyl-1H-pyrazol-3-yl)ethan-1-one,
SCHEMBL1144663,
DTXSID30702449,
WCHCXHRUMICFTE-UHFFFAOYSA-N,
MFCD11044344,
ZINC51971885,
AKOS006308893,
SC-67571,
AJ-112015,
DB-011790,
CS-0061514,
FT-0768259,
1-(1-ETHYL-4-HYDROXY-5-METHYL-1H-PYRAZOL-3-YL)ETHA,
1-(1-ETHYL-4-HYDROXY-5-METHYLPYRAZOL-3-YL)ETHANONE,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.196g/mol |
| Monoisotopic Mass | 168.09g/mol |
| Rotatable Bond Count | 2 |
| 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
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