3-Cyclopropyl-1-methyl-1H-pyrazole-4-carboxylic acid - CAS 137614-47-2
Catalog: |
BB049680 |
Product Name: |
3-Cyclopropyl-1-methyl-1H-pyrazole-4-carboxylic acid |
CAS: |
137614-47-2 |
Synonyms: |
1H-Pyrazole-4-carboxylic acid, 3-cyclopropyl-1-methyl- |
IUPAC Name: | 3-cyclopropyl-1-methylpyrazole-4-carboxylic acid |
Description: | 3-Cyclopropyl-1-methyl-1H-pyrazole-4-carboxylic acid (CAS# 137614-47-2 ) is a useful research chemical. |
Molecular Weight: | 166.18 |
Molecular Formula: | C8H10N2O2 |
Canonical SMILES: | CN1C=C(C(=N1)C2CC2)C(=O)O |
InChI: | InChI=1S/C8H10N2O2/c1-10-4-6(8(11)12)7(9-10)5-2-3-5/h4-5H,2-3H2,1H3,(H,11,12) |
InChI Key: | XZXPFRVWRDVHKT-UHFFFAOYSA-N |
Boiling Point: | 323.4±30.0 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.5±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: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.074227566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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Pyrazoles
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