Methyl 3-Methylisoxazole-5-carboxylate - CAS 1004-96-2
Catalog: |
BB000238 |
Product Name: |
Methyl 3-Methylisoxazole-5-carboxylate |
CAS: |
1004-96-2 |
Synonyms: |
3-methyl-5-isoxazolecarboxylic acid methyl ester; methyl 3-methyl-1,2-oxazole-5-carboxylate |
IUPAC Name: | methyl 3-methyl-1,2-oxazole-5-carboxylate |
Description: | Methyl 3-Methylisoxazole-5-carboxylate (CAS# 1004-96-2) is a useful research chemical. |
Molecular Weight: | 141.12 |
Molecular Formula: | C6H7NO3 |
Canonical SMILES: | CC1=NOC(=C1)C(=O)OC |
InChI: | InChI=1S/C6H7NO3/c1-4-3-5(10-7-4)6(8)9-2/h3H,1-2H3 |
InChI Key: | MBRNUSBFRMCWIZ-UHFFFAOYSA-N |
Boiling Point: | 227.6 °C at 760 mmHg |
Density: | 1.179 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD10699057 |
LogP: | 0.76960 |
Publication Number | Title | Priority Date |
WO-2021009068-A1 | N-substituted-3,4-(fused 5-ring)-5-phenyl-pyrrolidine-2-one compounds as inhibitors of isoqc and/or qc enzyme | 20190712 |
TW-202106671-A | Modulators of the integrated stress pathway | 20190430 |
US-2019315732-A1 | Modulators of proteolysis and associated methods of use | 20180404 |
US-2020129627-A1 | Compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides | 20161223 |
EP-3541805-B1 | Heteroaryl-substituted triazoles as apj receptor agonists | 20161116 |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.042593085 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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