4-Oxazolecarboxaldehyde - CAS 118994-84-6
Catalog: |
BB004359 |
Product Name: |
4-Oxazolecarboxaldehyde |
CAS: |
118994-84-6 |
Synonyms: |
1,3-oxazole-4-carbaldehyde |
IUPAC Name: | 1,3-oxazole-4-carbaldehyde |
Description: | 4-Oxazolecarboxaldehyde (CAS# 118994-84-6) is a useful research chemical. |
Molecular Weight: | 97.07 |
Molecular Formula: | C4H3NO2 |
Canonical SMILES: | C1=C(N=CO1)C=O |
InChI: | InChI=1S/C4H3NO2/c6-1-4-2-7-3-5-4/h1-3H |
InChI Key: | JBWIIXBEPINWPB-UHFFFAOYSA-N |
Boiling Point: | 184.7 °C at 760 mmHg |
Melting Point: | 57-61 °C |
Purity: | 95 % |
Density: | 1.258 g/cm3 |
Appearance: | Solid |
MDL: | MFCD02179512 |
LogP: | 0.48710 |
GHS Hazard Statement: | H302 (95.24%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021208963-A1 | Bcl-2 inhibitor | 20200415 |
EP-3816152-A1 | Specific materials used for the detection of at least one alkaline element | 20191029 |
US-2021122837-A1 | Specific materials that can be used for the detection of at least one alkaline element | 20191029 |
WO-2021023858-A1 | TrkB POSITIVE ALLOSTERIC MODULATORS | 20190808 |
WO-2020219852-A1 | Phenolic functionalized polyimides and compositions thereof | 20190426 |
PMID | Publication Date | Title | Journal |
17355146 | 20070510 | A general synthesis of substituted formylpyrroles from ketones and 4-formyloxazole | Organic letters |
Complexity: | 74.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 97.016378338 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 97.016378338 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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