| CAS Number | 142179-08-6 |
| Catalog Number | AG001HX3(AGN-PC-0L6S63) |
| Chemical Name | 1H-Pyrazole-3,5-dimethanol |
| IUPAC Name | [3-(hydroxymethyl)-1H-pyrazol-5-yl]methanol |
| InChI | InChI=1S/C5H8N2O2/c8-2-4-1-5(3-9)7-6-4/h1,8-9H,2-3H2,(H,6,7) |
| InChI Key | CEMYSBRDJZPNNC-UHFFFAOYSA-N |
| MDL Number | MFCD03931306 |
| Molecular Formula | C5H8N2O2 |
| Molecular Weight | 128.1292 |
| SMILES | N1N=C(C=C1CO)CO |
| Synonyms | 1H-Pyrazole-3,5-dimethanol,
142179-08-6,
(1H-Pyrazole-3,5-diyl)dimethanol,
[3-(hydroxymethyl)-1H-pyrazol-5-yl]methanol,
3,5-pyrazoledimethanol,
ACMC-1BWA0,
AC1N4PH7,
SCHEMBL4264903,
CTK0G9711,
DTXSID60400406,
ZINC2518933,
MFCD03931306,
AKOS006278944,
MCULE-8057754159,
AS-47022,
CID4182527,
[5-(hydroxymethyl)-2H-pyrazol-3-yl]methanol,
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| Complexity | 89 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.131g/mol |
| Monoisotopic Mass | 128.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.5 |
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Certificate of Analysis
Lot Number