2-((5-Formyl-2-methoxybenzyl)thio)nicotinic acid

Name: 2-((5-Formyl-2-methoxybenzyl)thio)nicotinic acid
Brand: ChemScene
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CAS No. 452088-31-2
Cat. No. CS-0364169
Molecule weight303.33
Purity≥98%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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2-((5-Formyl-2-methoxybenzyl)thio)nicotinic acid|CS-0364169

Structure of 452088-31-2

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General Information

CAS No. 452088-31-2
Cat. No. CS-0364169
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₅H₁₃NO₄S
Molecular Weight 303.33
Synonym(s) 2-[(5-Formyl-2-methoxybenzyl)sulfanyl]nicotinic acid
SMILES COC1=C(C=C(C=C1)C=O)CSC2=C(C=CC=N2)C(=O)O

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 76.49
LogP 2.8932
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 6

Other Classifications

Building Blocks Functional Group Aldehyde

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-((5-Formyl-2-methoxybenzyl)thio)nicotinic acid

CAS No. 452088-31-2

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