CAS
90393-83-2 Purity
96%
90393-83-2 Purity
96%
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Methyl 4-(3-pyridinyl)benzoate
CAS
90395-47-4
Catalog Number
ACM90395474
Category
Other Products
Molecular Weight
213.23
Molecular Formula
C13H11NO2
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Specification
Synonyms
METHYL 4-(PYRIDIN-3-YL)BENZOATE;METHYL 4-(3-PYRIDINYL)BENZOATE;AKOS BAR-0407
What is the molecular formula of Methyl 4-(3-pyridinyl)benzoate?
The molecular formula is C13H11NO2.
When was this compound created?
It was created on 2005-09-13.
What is the molecular weight of Methyl 4-(3-pyridinyl)benzoate?
The molecular weight is 213.23 g/mol.
What is the IUPAC name of Methyl 4-(3-pyridinyl)benzoate?
The IUPAC name is methyl 4-pyridin-3-ylbenzoate.
What is the Canonical SMILES of Methyl 4-(3-pyridinyl)benzoate?
The Canonical SMILES is COC(=O)C1=CC=C(C=C1)C2=CN=CC=C2.
How many hydrogen bond acceptors does Methyl 4-(3-pyridinyl)benzoate have?
It has 3 hydrogen bond acceptors.
What is the XLogP3-AA value of Methyl 4-(3-pyridinyl)benzoate?
The XLogP3-AA value is 2.3.
Does Methyl 4-(3-pyridinyl)benzoate have any defined atom stereocenters?
No, it does not have any defined atom stereocenters.
What is the topological polar surface area of Methyl 4-(3-pyridinyl)benzoate?
The topological polar surface area is 39.2 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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