| CAS Number | 1296272-87-1 |
| Catalog Number | AG00J1PC(AGN-PC-0WB7C5) |
| Chemical Name | 3-(2-Hydroxyphenyl)-1H-pyrazole-5-carboxylic acid hydrate |
| IUPAC Name | 3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid;hydrate |
| InChI | InChI=1S/C10H8N2O3.H2O/c13-9-4-2-1-3-6(9)7-5-8(10(14)15)12-11-7;/h1-5,13H,(H,11,12)(H,14,15);1H2 |
| InChI Key | FYPAKDCEIDGXLB-UHFFFAOYSA-N |
| MDL Number | MFCD08282767 |
| Molecular Formula | C10H10N2O4 |
| Molecular Weight | 222.1974 |
| SMILES | Oc1ccccc1c1n[nH]c(c1)C(=O)O.O |
| Synonyms | 3-(2-Hydroxyphenyl)-1H-pyrazole-5-carboxylic acid hydrate,
1296272-87-1,
ZX-CM005641,
MFCD13194002,
AKOS027426345,
3-(2-Hydroxyphenyl)-1H-pyrazole-5-carboxylic acid hydrate, AldrichCPR,
46393-99-1,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.2g/mol |
| Monoisotopic Mass | 222.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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