1-(2-Methoxyphenyl)-1H-pyrazole-4-carboxylic acid - CAS 1015845-77-8
Catalog: |
BB000551 |
Product Name: |
1-(2-Methoxyphenyl)-1H-pyrazole-4-carboxylic acid |
CAS: |
1015845-77-8 |
Synonyms: |
1-(2-methoxyphenyl)pyrazole-4-carboxylic acid |
IUPAC Name: | 1-(2-methoxyphenyl)pyrazole-4-carboxylic acid |
Description: | 1-(2-Methoxyphenyl)-1H-pyrazole-4-carboxylic acid (CAS# 1015845-77-8) is a useful research chemical. |
Molecular Weight: | 218.21 |
Molecular Formula: | C11H10N2O3 |
Canonical SMILES: | COC1=CC=CC=C1N2C=C(C=N2)C(=O)O |
InChI: | InChI=1S/C11H10N2O3/c1-16-10-5-3-2-4-9(10)13-7-8(6-12-13)11(14)15/h2-7H,1H3,(H,14,15) |
InChI Key: | GETIPSHEOZTBRP-UHFFFAOYSA-N |
Purity: | 95 % |
MDL: | MFCD05864512 |
LogP: | 1.57910 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2013150356-A1 | Acyl Piperazine Derivatives as TTX-S Blockers | 20100809 |
US-8999974-B2 | Acyl piperazine derivatives as TTX-S blockers | 20100809 |
WO-2012020567-A1 | Acyl piperazine derivatives as ttx-s blockers | 20100809 |
US-2012232052-A1 | Aryl carboxamide derivatives as ttx-s blockers | 20091116 |
US-9051296-B2 | Aryl carboxamide derivatives as TTX-S blockers | 20091116 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.06914219 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 64.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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Related Functional Groups
Pyrazoles
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