| CAS Number | 78242-20-3 |
| Catalog Number | AG003A42(AGN-PC-00KHGG) |
| Chemical Name | 1-Methyl-1H-pyrazol-4-ol |
| IUPAC Name | 1-methylpyrazol-4-ol |
| InChI | InChI=1S/C4H6N2O/c1-6-3-4(7)2-5-6/h2-3,7H,1H3 |
| InChI Key | FQASUNMXKLPOOF-UHFFFAOYSA-N |
| MDL Number | MFCD22414500 |
| Molecular Formula | C4H6N2O |
| Molecular Weight | 98.1032 |
| SMILES | OC1=CN(C)N=C1 |
| Synonyms | 1-Methyl-1H-pyrazol-4-ol,
78242-20-3,
1-methylpyrazol-4-ol,
1-methyl-4-hydroxy-1H-pyrazole,
1H-Pyrazol-4-ol, 1-methyl-,
1-methyl-4-hydroxypyrazole,
KS-00000QSW,
FQASUNMXKLPOOF-UHFFFAOYSA-N,
ZINC2564583,
MFCD22414500,
AKOS017520628,
MCULE-5814110625,
AK311462,
CS-0044173,
Y5106,
F8880-5488,
Z1492781185,
C4H6N2O,
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| Complexity | 66.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 98.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 98.105g/mol |
| Monoisotopic Mass | 98.048g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number