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

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

CAS No: 640292-02-0 Catalog No: AG003M69 MDL No:MFCD06199344

Product Description

Catalog Number:

AG003M69

Chemical Name:

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

CAS Number:

640292-02-0

Molecular Formula:

C11H9NO2

Molecular Weight:

187.1947

MDL Number:

MFCD06199344

IUPAC Name:

5-(4-methylphenyl)-1,2-oxazole-3-carbaldehyde

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

SMILES:

O=Cc1noc(c1)c1ccc(cc1)C

Properties

Complexity:

200

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

187.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

187.198g/mol

Monoisotopic Mass:

187.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
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) 20120316
Discovery of substituted isoxazolecarbaldehydes as potent spermicides, acrosin inhibitors and mild anti-fungal agents.	Human reproduction (Oxford, England) 20050801