3-(2-Hydroxyphenyl)-1H-pyrazole-5-carboxylic Acid - CAS 46393-99-1
Catalog: |
BB064375 |
Product Name: |
3-(2-Hydroxyphenyl)-1H-pyrazole-5-carboxylic Acid |
CAS: |
46393-99-1 |
Synonyms: |
3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid; 5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxylic acid |
IUPAC Name: | 3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid |
Description: | 3-(2-Hydroxyphenyl)-1H-pyrazole-5-carboxylic acid is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 204.18 |
Molecular Formula: | C10H8N2O3 |
Canonical SMILES: | C1=CC=C(C(=C1)C2=NNC(=C2)C(=O)O)O |
InChI: | InChI=1S/C10H8N2O3/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) |
InChI Key: | VTXQMHBETSEFDV-UHFFFAOYSA-N |
References: | Varano, F., et al. Arch. Pharm., 329, 529 (1996); Zagorevskii, V. A., et al. Zh. Obshch. Khim., 30, 3579 (1960). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.05349212 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 86.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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