5-Isoxazolecarboxylicacid, methyl ester - CAS 15055-81-9
Catalog: |
BB043296 |
Product Name: |
5-Isoxazolecarboxylicacid, methyl ester |
CAS: |
15055-81-9 |
Synonyms: |
AKOS PAO-1372; ISOXAZOLE-5-CARBOXYLIC ACID METHYL ESTER; METHYL ISOXAZOLE-5-CARBOXYLATE; Isoxazole-5-carboxylic acid ethyl ester; methyl oxazole-5-carboxylate |
IUPAC Name: | methyl 1,2-oxazole-5-carboxylate |
Description: | 5-Isoxazolecarboxylicacid, methyl ester (CAS# 15055-81-9 ) is a useful research chemical. |
Molecular Weight: | 127.10 |
Molecular Formula: | C5H5NO3 |
Canonical SMILES: | COC(=O)C1=CC=NO1 |
InChI: | InChI=1S/C5H5NO3/c1-8-5(7)4-2-3-6-9-4/h2-3H,1H3 |
InChI Key: | ILPCPKZAAQXHKL-UHFFFAOYSA-N |
Density: | 1.229 g/cm3 |
Complexity: | 115 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 127.026943022 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 127.026943022 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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