3-methylisoxazole-5-carbaldehyde - CAS 70753-36-5
Catalog: |
BB034231 |
Product Name: |
3-methylisoxazole-5-carbaldehyde |
CAS: |
70753-36-5 |
Synonyms: |
3-methyl-5-isoxazolecarboxaldehyde; 3-methyl-1,2-oxazole-5-carbaldehyde |
IUPAC Name: | 3-methyl-1,2-oxazole-5-carbaldehyde |
Description: | 3-methylisoxazole-5-carbaldehyde (CAS# 70753-36-5) is a useful research chemical. |
Molecular Weight: | 111.10 |
Molecular Formula: | C5H5NO2 |
Canonical SMILES: | CC1=NOC(=C1)C=O |
InChI: | InChI=1S/C5H5NO2/c1-4-2-5(3-7)8-6-4/h2-3H,1H3 |
InChI Key: | GEWPFPUABRRBPS-UHFFFAOYSA-N |
Boiling Point: | 218.759 ℃ at 760 mmHg |
Density: | 1.19 g/cm3 |
MDL: | MFCD09751673 |
LogP: | 0.79550 |
GHS Hazard Statement: | H400 (95%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] |
Precautionary Statement: | P273, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020210366-A1 | Condensed azines for ep300 or cbp modulation and indications therefor | 20190409 |
TW-202104221-A | Compounds and methods for ep300 or cbp modulation and indications therefor | 20190409 |
US-2021315872-A1 | COMPOUNDS AND METHODS FOR EP300 or CBP MODULATION AND INDICATIONS THEREFOR | 20190409 |
CN-108329279-A | A kind of synthetic method of the iodo- 3- methylisoxazoles -5- formaldehyde of 4- | 20180328 |
BR-112019017171-A2 | 1h-pyrazolo [4,3-b] pde1-inhibiting pyridines, pharmaceutical composition and use thereof | 20171220 |
Complexity: | 94.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 111.032028402 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 111.032028402 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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