2-Methyloxazole-4-carboxaldehyde - CAS 113732-84-6

Name: 2-Methyloxazole-4-carboxaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB003212
Product Name:	2-Methyloxazole-4-carboxaldehyde
CAS:	113732-84-6
Synonyms:	2-methyl-1,3-oxazole-4-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2-methyl-1,3-oxazole-4-carbaldehyde
Description:	2-Methyloxazole-4-carboxaldehyde (CAS# 113732-84-6) is a compound useful in organic synthesis.
Molecular Weight:	111.10
Molecular Formula:	C5H5NO2
Canonical SMILES:	CC1=NC(=CO1)C=O
InChI:	InChI=1S/C5H5NO2/c1-4-6-5(2-7)3-8-4/h2-3H,1H3
InChI Key:	ARAUEWKXKTYCHZ-UHFFFAOYSA-N
Boiling Point:	183 °C
Purity:	98 %
Density:	1.189 g/cm³
Appearance:	Solid
MDL:	MFCD03265461
LogP:	0.79550

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[17746-05-3]C11H21ClO
Undecanoyl chloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

GHS Hazard Statement:	H302 (95.35%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020163295-A1	Chiral-substituted poly-n-vinylpyrrolidinones and complexes with bimetallic nanoclusters and uses thereof in asymmetric oxidation reactions	20190204
US-2020031835-A1	Fused pyrazine derivatives as a2a / a2b inhibitors	20180705
WO-2020010197-A1	Fused pyrazine derivatives as a2a / a2b inhibitors	20180705
AU-2019297361-A1	Fused pyrazine derivatives as A2A / A2B inhibitors	20180705
TW-202012409-A	Fused pyrazine derivatives as A2A/A2B inhibitors	20180705

PMID	Publication Date	Title	Journal
21946437	20111101	Conjugates of ferrocene with biological compounds. Coordination to gold complexes and antitumoral properties	Journal of inorganic biochemistry
11735570	20011213	Intramolecular palladium(II)-mediated alkoxy carbonylation as a route to functionalized tetrahydropyrans. Synthesis of the C9-C32 segment of phorboxazole A	Organic letters

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:	0.5