1-Cyclopentyl-1H-pyrazole-5-carboxylic acid - CAS 1006334-24-2
Catalog: |
BB048352 |
Product Name: |
1-Cyclopentyl-1H-pyrazole-5-carboxylic acid |
CAS: |
1006334-24-2 |
Synonyms: |
1-cyclopentylpyrazole-5-carboxylic acid; 1H-Pyrazole-5-carboxylic acid, 1-cyclopentyl- |
IUPAC Name: | 2-cyclopentylpyrazole-3-carboxylic acid |
Description: | 1-Cyclopentyl-1H-pyrazole-5-carboxylic acid (CAS# 1006334-24-2 ) is a useful research chemical. |
Molecular Weight: | 180.20 |
Molecular Formula: | C9H12N2O2 |
Canonical SMILES: | C1CCC(C1)N2C(=CC=N2)C(=O)O |
InChI: | InChI=1S/C9H12N2O2/c12-9(13)8-5-6-10-11(8)7-3-1-2-4-7/h5-7H,1-4H2,(H,12,13) |
InChI Key: | RCESRIZDABALBM-UHFFFAOYSA-N |
Boiling Point: | 374.5±15.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.4±0.1 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: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.08987763 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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