tert-butyl 3-oxo-3,6-dihydropyridine-1(2H)-carboxylate - CAS 156496-89-8
Catalog: |
BB054618 |
Product Name: |
tert-butyl 3-oxo-3,6-dihydropyridine-1(2H)-carboxylate |
CAS: |
156496-89-8 |
Synonyms: |
tert-Butyl 5-oxo-5,6-dihydropyridine-1(2H)-carboxylate; tert-butyl 3-oxo-1,2,3,6-tetrahydropyridine-1-carboxylate |
IUPAC Name: | tert-butyl 3-oxo-2,6-dihydropyridine-1-carboxylate |
Molecular Weight: | 197.23 |
Molecular Formula: | C10H15NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC=CC(=O)C1 |
InChI: | InChI=1S/C10H15NO3/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h4-5H,6-7H2,1-3H3 |
InChI Key: | LAOFVVUJCGMSJG-UHFFFAOYSA-N |
Boiling Point: | 299.2±39.0 °C at 760 mmHg |
Purity: | 95+% |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.10519334 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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