Ethyl 2-oxo-2-(pyridin-3-yl)acetate - CAS 73672-37-4
Catalog: |
BB065599 |
Product Name: |
Ethyl 2-oxo-2-(pyridin-3-yl)acetate |
CAS: |
73672-37-4 |
Synonyms: |
ETHYL 2-OXO-2-(PYRIDIN-3-YL)ACETATE; ethyl 2-oxo-2-pyridin-3-ylacetate; ethyl 3-pyridylglyoxylate; ethyl 3-pyridineglyoxylate; Ethyl oxo(pyridin-3-yl)acetate |
IUPAC Name: | ethyl 2-oxo-2-pyridin-3-ylacetate |
Molecular Weight: | 179.17 |
Molecular Formula: | C9H9NO3 |
Canonical SMILES: | CCOC(=O)C(=O)C1=CN=CC=C1 |
InChI: | InChI=1S/C9H9NO3/c1-2-13-9(12)8(11)7-4-3-5-10-6-7/h3-6H,2H2,1H3 |
InChI Key: | KVEJGPKUSPYFIE-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 203 |
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: | 1.2 |
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