Methyl 5-(4-methylphenyl)isoxazole-3-carboxylate

Name: Methyl 5-(4-methylphenyl)isoxazole-3-carboxylate
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CAS No. 517870-14-3
Cat. No. CS-0072041
Molecule weight217.22
Purity≥97%
MDL No.MFCD03464139

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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Methyl 5-(4-methylphenyl)isoxazole-3-carboxylate|CS-0072041

Structure of 517870-14-3

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General Information

CAS No. 517870-14-3
Cat. No. CS-0072041
Purity ≥97%
MDL No. MFCD03464139
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₁NO₃
Molecular Weight 217.22
Synonym(s) METHYL 5-P-TOLYLISOXAZOLE-3-CARBOXYLATE
SMILES O=C(OC)C1=NOC(C(C=C2)=CC=C2C)=C1

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 52.33
LogP 2.43662
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Isoxazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 5-(4-methylphenyl)isoxazole-3-carboxylate

CAS No. 517870-14-3

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