5-(1H-Pyrazol-5-yl)thiophene-2-carboxylic acid - CAS 656226-63-0
Catalog: |
BB042974 |
Product Name: |
5-(1H-Pyrazol-5-yl)thiophene-2-carboxylic acid |
CAS: |
656226-63-0 |
Synonyms: |
5-(1H-pyrazol-3-yl)thiophene-2-carboxylic acid; 5-(1H-Pyrazol-3-yl)-2-thiophenecarboxylic acid; 5-Pyrazol-3-ylthiophene-2-carboxylic acid; EC-000.1426 |
IUPAC Name: | 5-(1H-pyrazol-5-yl)thiophene-2-carboxylic acid |
Description: | 5-(1H-Pyrazol-5-yl)thiophene-2-carboxylic acid (CAS# 656226-63-0 ) is a useful research chemical. |
Molecular Weight: | 194.21 |
Molecular Formula: | C8H6N2O2S |
Canonical SMILES: | C1=C(SC(=C1)C(=O)O)C2=CC=NN2 |
InChI: | InChI=1S/C8H6N2O2S/c11-8(12)7-2-1-6(13-7)5-3-4-9-10-5/h1-4H,(H,9,10)(H,11,12) |
InChI Key: | FMXYBKOCJXQJOV-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, 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: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.01499861 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.01499861 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 94.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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