3-Ethylisoxazole-5-carboxylic acid - CAS 14633-21-7
Catalog: |
BB050085 |
Product Name: |
3-Ethylisoxazole-5-carboxylic acid |
CAS: |
14633-21-7 |
Synonyms: |
3-ethyl-5-carboxyisoxazole |
IUPAC Name: | 3-ethyl-1,2-oxazole-5-carboxylic acid |
Description: | 3-Ethylisoxazole-5-carboxylic acid (CAS# 14633-21-7 ) is a useful research chemical. |
Molecular Weight: | 141.12 |
Molecular Formula: | C6H7NO3 |
Canonical SMILES: | CCC1=NOC(=C1)C(=O)O |
InChI: | InChI=1S/C6H7NO3/c1-2-4-3-5(6(8)9)10-7-4/h3H,2H2,1H3,(H,8,9) |
InChI Key: | WHBIWWYTGXQXSD-UHFFFAOYSA-N |
Boiling Point: | 316.1 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.273 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: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.042593085 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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