| CAS Number | 58365-04-1 |
| Catalog Number | AG00F1PL(AGN-PC-0NI86P) |
| Chemical Name | 1H-Pyrazole-3-carboxylic acid, 2,5-dihydro-2-Methyl-5-oxo- |
| IUPAC Name | 2-methyl-5-oxo-1H-pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C5H6N2O3/c1-7-3(5(9)10)2-4(8)6-7/h2H,1H3,(H,6,8)(H,9,10) |
| InChI Key | SLVOOWWSQZFRPK-UHFFFAOYSA-N |
| MDL Number | MFCD28619995 |
| Molecular Formula | C5H6N2O3 |
| Molecular Weight | 142.1127 |
| SMILES | O=C(C1=CC(NN1C)=O)O |
| Synonyms | 58365-04-1,
1H-Pyrazole-3-carboxylic acid, 2,5-dihydro-2-methyl-5-oxo-,
SCHEMBL15059353,
CTK1E9925,
2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid,
DTXSID10482272,
AKOS006384321,
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| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.114g/mol |
| Monoisotopic Mass | 142.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
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UN Code
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\N
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Certificate of Analysis
Lot Number