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

Technical Data

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Computed Properties

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 °C at 760 mmHg
Purity:	97.0 %
Density:	1.177 g/cm³
MDL:	MFCD04114930
LogP:	0.85130

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-Î²R1 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

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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

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