Ethyl 2-Formylisonicotinate - CAS 21908-08-7
Catalog: |
BB065727 |
Product Name: |
Ethyl 2-Formylisonicotinate |
CAS: |
21908-08-7 |
Synonyms: |
Ethyl 2-formylisonicotinate; ethyl 2-formylpyridine-4-carboxylate; 4-Pyridinecarboxylic acid, 2-formyl-, ethyl ester; Ethyl2-formylisonicotinate |
IUPAC Name: | ethyl 2-formylpyridine-4-carboxylate |
Molecular Weight: | 179.17 |
Molecular Formula: | C9H9NO3 |
Canonical SMILES: | CCOC(=O)C1=CC(=NC=C1)C=O |
InChI: | InChI=1S/C9H9NO3/c1-2-13-9(12)7-3-4-10-8(5-7)6-11/h3-6H,2H2,1H3 |
InChI Key: | UWXSUYORWIRRCH-UHFFFAOYSA-N |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.058243149 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 56.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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