5-ethyl-1,2-oxazole-4-carboxylic acid - CAS 134541-03-0

Catalog:	BB007954
Product Name:	5-ethyl-1,2-oxazole-4-carboxylic acid
CAS:	134541-03-0
Synonyms:	5-ethyl-4-isoxazolecarboxylic acid; 5-ethyl-1,2-oxazole-4-carboxylic acid

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Computed Properties

IUPAC Name:	5-ethyl-1,2-oxazole-4-carboxylic acid
Description:	5-ethyl-1,2-oxazole-4-carboxylic acid (CAS# 134541-03-0) is a useful research chemical.
Molecular Weight:	141.126
Molecular Formula:	C6H7NO3
Canonical SMILES:	CCC1=C(C=NO1)C(=O)O
InChI:	InChI=1S/C6H7NO3/c1-2-5-4(6(8)9)3-7-10-5/h3H,2H2,1H3,(H,8,9)
InChI Key:	YGUUMRJFLRVBOD-UHFFFAOYSA-N
Boiling Point:	290.419 °C at 760 mmHg
Density:	1.274 g/cm³
Storage:	Sealed in dry, Room Temperature
LogP:	0.93520

Publication Number	Title	Priority Date
JP-2019201631-A	Synthesis of therapeutic microvesicles and stem cells	20180126
US-2021054344-A1	Cpc exosomes mirna373 combination therapies	20180126
US-2017174688-A1	Substituted Indoles	20141218
US-2017349589-A9	Substituted Indoles	20141218
US-9932340-B2	Substituted indoles	20141218

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	141.042593085
Rotatable Bond Count:	2
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7