5-(3-Methoxy-phenyl)-2H-pyrazole-3-carboxylic acid - CAS 890591-64-7
Catalog: |
BB039334 |
Product Name: |
5-(3-Methoxy-phenyl)-2H-pyrazole-3-carboxylic acid |
CAS: |
890591-64-7 |
Synonyms: |
3-(3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid; 3-(3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid |
IUPAC Name: | 3-(3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid |
Description: | 5-(3-Methoxy-phenyl)-2H-pyrazole-3-carboxylic acid (CAS# 890591-64-7 ) is a useful research chemical. |
Molecular Weight: | 218.21 |
Molecular Formula: | C11H10N2O3 |
Canonical SMILES: | COC1=CC=CC(=C1)C2=NNC(=C2)C(=O)O |
InChI: | InChI=1S/C11H10N2O3/c1-16-8-4-2-3-7(5-8)9-6-10(11(14)15)13-12-9/h2-6H,1H3,(H,12,13)(H,14,15) |
InChI Key: | IEQRHIQFNLEJMF-UHFFFAOYSA-N |
Purity: | 95 % |
MDL: | MFCD03030351 |
LogP: | 1.78350 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2012266457-A1 | Pyrazole derivatives | 20110609 |
AU-2012266457-B2 | Pyrazole derivatives | 20110609 |
DK-2717873-T3 | pyrazole | 20110609 |
EP-2717873-A1 | Pyrazole derivatives | 20110609 |
EP-2717873-B1 | Pyrazole derivatives | 20110609 |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.06914219 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 75.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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Pyrazoles
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