3-ethyl-4,5-dihydroisoxazole-5-carboxylic acid - CAS 471246-96-5
Catalog: |
BB053585 |
Product Name: |
3-ethyl-4,5-dihydroisoxazole-5-carboxylic acid |
CAS: |
471246-96-5 |
Synonyms: |
3-ethyl-4,5-dihydroisoxazole-5-carboxylicacid |
IUPAC Name: | 3-ethyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid |
Molecular Weight: | 143.14 |
Molecular Formula: | C6H9NO3 |
Canonical SMILES: | CCC1=NOC(C1)C(=O)O |
InChI: | InChI=1S/C6H9NO3/c1-2-4-3-5(6(8)9)10-7-4/h5H,2-3H2,1H3,(H,8,9) |
InChI Key: | SSLVFWYSBQXENA-UHFFFAOYSA-N |
Boiling Point: | 276.6±50.0 °C at 760 mmHg |
Purity: | 95% |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 58.9 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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