5-Isoxazolecarboxylic acid,3-methyl-ethyl ester - CAS 63366-79-0
Catalog: |
BB043897 |
Product Name: |
5-Isoxazolecarboxylic acid,3-methyl-ethyl ester |
CAS: |
63366-79-0 |
Synonyms: |
Ethyl 3-Methylisoxazole-5-carboxylate; 3-Methyl-5-isoxazolecarboxylic acid ethyl ester; 5-Isoxazolecarboxylicacid, 3-methyl-, ethylester (6CI,7CI,9CI); 5-Isoxazolecarboxylicacid, 3-methyl-, ethyl ester |
IUPAC Name: | ethyl 3-methyl-1,2-oxazole-5-carboxylate |
Description: | 5-Isoxazolecarboxylic acid,3-methyl-ethyl ester (CAS# 63366-79-0 ) is a useful research chemical. |
Molecular Weight: | 155.15 |
Molecular Formula: | C7H9NO3 |
Canonical SMILES: | CCOC(=O)C1=CC(=NO1)C |
InChI: | InChI=1S/C7H9NO3/c1-3-10-7(9)6-4-5(2)8-11-6/h4H,3H2,1-2H3 |
InChI Key: | LPMIZTNZMHVVSS-UHFFFAOYSA-N |
Purity: | 95 % |
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: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.058243149 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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