AG003M69

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

AG003M69

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CAS Number	640292-02-0
Catalog Number	AG003M69(AGN-PC-00UQNG)
Chemical Name	5-(4-Methylphenyl)isoxazole-3-carboxaldehyde
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
MDL Number	MFCD06199344
Molecular Formula	C11H9NO2
Molecular Weight	187.1947
SMILES	CC1=CC=C(C=C1)C2=CC(=NO2)C=O
Synonyms	5-(4-Methylphenyl)isoxazole-3-carboxaldehyde, 640292-02-0, 5-(p-tolyl)isoxazole-3-carbaldehyde, 5-(4-Methylphenyl)-1,2-oxazole-3-carbaldehyde, ACMC-20am88, SCHEMBL4886228, CTK8C5844, DTXSID80584575, MYACDOUALUEBHR-UHFFFAOYSA-N, 5-p-Tolylisoxazole-3-carbaldehyde, 5729AH, KM0807, MFCD06199344, ZINC12958136, AKOS015916524, 5-(p-Tolyl)isoxazole-3-carboxaldehyde, COR0003398, FCH1119832, 5-(4-Methylphenyl)isoxazole-3-carboxald, 5-(4-methylphenyl)isoxazole-3-carbaldehyde, RT-020693, 5-(4-methylphenyl)-isoxazole-3-carboxaldehyde, 3-Isoxazolecarboxaldehyde, 5-(4-methylphenyl)-, 5-(4-Methylphenyl)isoxazole-3-carboxaldehyde, 97%, I14-50958, C11H9NO2, 5- ISOXAZOLE-3-CARBOXALD&, T3454,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.063g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	187.198g/mol
Monoisotopic Mass	187.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	43.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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