2-Ethoxy-4-oxazolecarboxylic Acid - CAS 706789-09-5
Catalog: |
BB065983 |
Product Name: |
2-Ethoxy-4-oxazolecarboxylic Acid |
CAS: |
706789-09-5 |
Synonyms: |
2-ethoxy-1,3-oxazole-4-carboxylic acid; 2-Ethoxyoxazole-4-carboxylic acid; 2-ETHOXY-4-OXAZOLECARBOXYLIC ACID; 2-Ethoxyoxazole-4-carboxylicacid |
IUPAC Name: | 2-ethoxy-1,3-oxazole-4-carboxylic acid |
Molecular Weight: | 157.12 |
Molecular Formula: | C6H7NO4 |
Canonical SMILES: | CCOC1=NC(=CO1)C(=O)O |
InChI: | InChI=1S/C6H7NO4/c1-2-10-6-7-4(3-11-6)5(8)9/h3H,2H2,1H3,(H,8,9) |
InChI Key: | OQWCITRELJZQJS-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
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: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.0375077 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.0375077 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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