Ethyl 5-(1-hydroxyethyl)-1,2-oxazole-3-carboxylate - CAS 78934-71-1
Catalog: |
BB065426 |
Product Name: |
Ethyl 5-(1-hydroxyethyl)-1,2-oxazole-3-carboxylate |
CAS: |
78934-71-1 |
Synonyms: |
ethyl 5-(1-hydroxyethyl)-1,2-oxazole-3-carboxylate; Ethyl 5-(1-Hydroxyethyl)isoxazole-3-carboxylate; 1-(3-carbethoxy-5-isoxazolyl)ethanol; 3-Isoxazolecarboxylic acid, 5-(1-hydroxyethyl)-, ethyl ester |
IUPAC Name: | ethyl 5-(1-hydroxyethyl)-1,2-oxazole-3-carboxylate |
Description: | Ethyl 5-(1-hydroxyethyl)-1,2-oxazole-3-carboxylate |
Molecular Weight: | 185.18 |
Molecular Formula: | C8H11NO4 |
Canonical SMILES: | CCOC(=O)C1=NOC(=C1)C(C)O |
InChI: | InChI=1S/C8H11NO4/c1-3-12-8(11)6-4-7(5(2)10)13-9-6/h4-5,10H,3H2,1-2H3 |
InChI Key: | USAQNLVRCXORQI-UHFFFAOYSA-N |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.06880783 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.06880783 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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