2-(1H-Pyrazol-1-yl)propanoic acid - CAS 956722-93-3
Catalog: |
BB050058 |
Product Name: |
2-(1H-Pyrazol-1-yl)propanoic acid |
CAS: |
956722-93-3 |
Synonyms: |
2-pyrazolylpropanoic acid; (pyrazol-1-yl)propionic acid |
IUPAC Name: | 2-pyrazol-1-ylpropanoic acid |
Description: | 2-(1H-Pyrazol-1-yl)propanoic acid (CAS# 956722-93-3 ) is a useful research chemical. |
Molecular Weight: | 140.14 |
Molecular Formula: | C6H8N2O2 |
Canonical SMILES: | CC(C(=O)O)N1C=CC=N1 |
InChI: | InChI=1S/C6H8N2O2/c1-5(6(9)10)8-4-2-3-7-8/h2-5H,1H3,(H,9,10) |
InChI Key: | BIFKSWDIQROCGX-UHFFFAOYSA-N |
Boiling Point: | 284.8 °C at 760 mmHg |
Melting Point: | 75.35 °C |
Density: | 1.3 g/cm3 |
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 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.058577502 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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