Ethyl 5-oxazolecarboxylate - CAS 118994-89-1
Catalog: |
BB004360 |
Product Name: |
Ethyl 5-oxazolecarboxylate |
CAS: |
118994-89-1 |
Synonyms: |
ethyl 1,3-oxazole-5-carboxylate |
IUPAC Name: | ethyl 1,3-oxazole-5-carboxylate |
Description: | Ethyl 5-oxazolecarboxylate (CAS# 118994-89-1) is a useful research chemical. |
Molecular Weight: | 141.12 |
Molecular Formula: | C6H7NO3 |
Canonical SMILES: | CCOC(=O)C1=CN=CO1 |
InChI: | InChI=1S/C6H7NO3/c1-2-9-6(8)5-3-7-4-10-5/h3-4H,2H2,1H3 |
InChI Key: | KRMORCCAHXFIHF-UHFFFAOYSA-N |
Boiling Point: | 202 ℃ at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.177 g/cm3 |
MDL: | MFCD04114930 |
LogP: | 0.85130 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021038426-A1 | Substituted 1,3-phenyl heteroaryl derivatives and their use in the treatment of disease | 20190828 |
EP-3896062-A1 | Isoindoline compound, and preparation method, pharmaceutical composition, and application of isoindoline compound | 20181206 |
WO-2020103817-A1 | TGF-βR1 INHIBITOR AND USE THEREOF | 20181120 |
US-2020123117-A1 | Androgen receptor modulators and methods for their use | 20181018 |
WO-2020081999-A1 | Androgen receptor modulators and methods for their use | 20181018 |
Complexity: | 126 |
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: | 3 |
Topological Polar Surface Area: | 52.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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Related Functional Groups
Oxazole/Thiazole
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