5-Methoxy-benzooxazole-2-carboxylic acid methyl ester - CAS 49559-57-1
Catalog: |
BB054356 |
Product Name: |
5-Methoxy-benzooxazole-2-carboxylic acid methyl ester |
CAS: |
49559-57-1 |
Synonyms: |
Methyl 5-methoxybenzo[d]oxazole-2-carboxylate |
IUPAC Name: | methyl 5-methoxy-1,3-benzoxazole-2-carboxylate |
Molecular Weight: | 207.18 |
Molecular Formula: | C10H9NO4 |
Canonical SMILES: | COC1=CC2=C(C=C1)OC(=N2)C(=O)OC |
InChI: | InChI=1S/C10H9NO4/c1-13-6-3-4-8-7(5-6)11-9(15-8)10(12)14-2/h3-5H,1-2H3 |
InChI Key: | MGZDRAKFWQDAIR-UHFFFAOYSA-N |
Purity: | 95% |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.05315777 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 61.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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Benzoxazole/Benzothiazole
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