4-Hydroxy-5-methyl-2-oxazolecarboxylic Acid Methyl Ester - CAS 1379247-69-4
Catalog: |
BB063627 |
Product Name: |
4-Hydroxy-5-methyl-2-oxazolecarboxylic Acid Methyl Ester |
CAS: |
1379247-69-4 |
Synonyms: |
Methyl 4-hydroxy-5-methyloxazole-2-carboxylate; METHYL 4-HYDROXY-5-METHYL-1,3-OXAZOLE-2-CARBOXYLATE; 4-Hydroxy-5-methyl-2-oxazolecarboxylic Acid Methyl Ester; Methyl4-hydroxy-5-methyloxazole-2-carboxylate |
IUPAC Name: | methyl 4-hydroxy-5-methyl-1,3-oxazole-2-carboxylate |
Description: | 4-Hydroxy-5-methyl-2-oxazolecarboxylic Acid Methyl Ester, is an intermediate in the synthesis of pharmaceutical products including inhibitors and anticancer compounds. |
Molecular Weight: | 157.12 |
Molecular Formula: | C6H7NO4 |
Canonical SMILES: | CC1=C(N=C(O1)C(=O)OC)O |
InChI: | InChI=1S/C6H7NO4/c1-3-4(8)7-5(11-3)6(9)10-2/h8H,1-2H3 |
InChI Key: | LQYNEFCIDRTWDO-UHFFFAOYSA-N |
Complexity: | 161 |
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: | 2 |
Topological Polar Surface Area: | 72.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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