5-Cyclopropyl-1-methyl-1H-pyrazole-4-carboxylic acid - CAS 1092394-30-3
Catalog: |
BB053274 |
Product Name: |
5-Cyclopropyl-1-methyl-1H-pyrazole-4-carboxylic acid |
CAS: |
1092394-30-3 |
Synonyms: |
5-cyclopropyl-1-methyl-1H-pyrazole-4-carboxylicacid |
IUPAC Name: | 5-cyclopropyl-1-methylpyrazole-4-carboxylic acid |
Molecular Weight: | 166.18 |
Molecular Formula: | C8H10N2O2 |
Canonical SMILES: | CN1C(=C(C=N1)C(=O)O)C2CC2 |
InChI: | InChI=1S/C8H10N2O2/c1-10-7(5-2-3-5)6(4-9-10)8(11)12/h4-5H,2-3H2,1H3,(H,11,12) |
InChI Key: | ZVXUKCIXTVRSFO-UHFFFAOYSA-N |
Boiling Point: | 323.4±30.0 °C at 760 mmHg |
Purity: | 95% |
Density: | 1.5±0.1 g/cm3 |
Appearance: | Solid |
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: | 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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