isoxazole-3-carbaldehyde - CAS 89180-61-0
Catalog: |
BB039369 |
Product Name: |
isoxazole-3-carbaldehyde |
CAS: |
89180-61-0 |
Synonyms: |
3-isoxazolecarboxaldehyde; 1,2-oxazole-3-carbaldehyde |
IUPAC Name: | 1,2-oxazole-3-carbaldehyde |
Description: | isoxazole-3-carbaldehyde (CAS# 89180-61-0) is a useful research chemical. |
Molecular Weight: | 97.07 |
Molecular Formula: | C4H3NO2 |
Canonical SMILES: | C1=CON=C1C=O |
InChI: | InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H |
InChI Key: | WNVZOHNNPDZYFN-UHFFFAOYSA-N |
Boiling Point: | 211.9 ℃ at 760 mmHg |
Purity: | > 95 % |
Density: | 1.258 g/cm3 |
MDL: | MFCD06739019 |
LogP: | 0.48710 |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020247599-A1 | 4-substituted pyrano[3,4,b]pyrazine kappa agonists for treating drug dependency | 20190606 |
WO-2020150091-A1 | Inhibitors of histone deacetylase useful for the treatment or prevention of hiv infection | 20190115 |
US-2021238139-A1 | Modulators of tryptophan catabolism | 20180601 |
WO-2019191470-A1 | Heterobicyclic inhibitors of mat2a and methods of use for treating cancer | 20180330 |
AU-2019243289-A1 | Heterobicyclic inhibitors of MAT2A and methods of use for treating cancer | 20180330 |
PMID | Publication Date | Title | Journal |
20176593 | 20100501 | Functional attenuation of human sperm by novel, non-surfactant spermicides: precise targeting of membrane physiology without affecting structure | Human reproduction (Oxford, England) |
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: | 0.2 |
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