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5-(4-Methylphenyl)isoxazole-3-carboxaldehyde

5-(4-Methylphenyl)isoxazole-3-carboxaldehyde - CAS 640292-02-0

Name: 5-(4-Methylphenyl)isoxazole-3-carboxaldehyde
Brand: BOC Sciences
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Catalog:	BB032347
Product Name:	5-(4-Methylphenyl)isoxazole-3-carboxaldehyde
CAS:	640292-02-0
Synonyms:	5-(4-methylphenyl)-1,2-oxazole-3-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	5-(4-methylphenyl)-1,2-oxazole-3-carbaldehyde
Description:	5-(4-Methylphenyl)isoxazole-3-carboxaldehyde (CAS# 640292-02-0) is a useful research chemical.
Molecular Weight:	187.19
Molecular Formula:	C11H9NO2
Canonical SMILES:	CC1=CC=C(C=C1)C2=CC(=NO2)C=O
InChI:	InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)11-6-10(7-13)12-14-11/h2-7H,1H3
InChI Key:	MYACDOUALUEBHR-UHFFFAOYSA-N
Boiling Point:	366.7 °C at 760 mmHg
Density:	1.179 g/cm³
MDL:	MFCD06199344
LogP:	2.46250

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]C6H2Cl2O4
Chloranilic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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

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-2018273906-A1	Microvesicle and stem cell compositions for therapeutic applications	20140417
US-2015148330-A1	Carbamate compounds and of making and using same	20120106
US-2017073320-A1	Carbamate compounds and methods of making and using same	20120106

PMID	Publication Date	Title	Journal
22426528	20120316	Synthesis and antimicrobial activity of N'-heteroarylidene-1-adamantylcarbohydrazides and (±)-2-(1-adamantyl)-4-acetyl-5-[5-(4-substituted phenyl-3-isoxazolyl)]-1,3,4-oxadiazolines	Molecules (Basel, Switzerland)
15932909	20050801	Discovery of substituted isoxazolecarbaldehydes as potent spermicides, acrosin inhibitors and mild anti-fungal agents	Human reproduction (Oxford, England)

Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.063328530
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	187.063328530
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7