CAS
98055-55-1 Purity
96%
98055-55-1 Purity
96%
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Benzoic acid,4-(2-pyridinyl)-,methyl ester
CAS
98061-21-3
Catalog Number
ACM98061213
Category
Other Products
Molecular Weight
213.23
Molecular Formula
C13H11NO2
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Specification
Synonyms
METHYL 4-(2-PYRIDINYL)BENZOATE;METHYL 4-(PYRIDIN-2-YL)BENZOATE;AKOS BAR-0486;RARECHEM AL BF 0861
IUPAC Name
methyl 4-pyridin-2-ylbenzoate
InChI Key
WNUOEXYOJHXGAX-UHFFFAOYSA-N
Exact Mass
213.07900
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 3358924?
The molecular formula is C13H11NO2.
What are some synonyms for the compound with PubChem CID 3358924?
Some synonyms include METHYL 4-(PYRIDIN-2-YL)BENZOATE and methyl 4-(2-pyridinyl)benzoate.
When was the compound with PubChem CID 3358924 created and last modified?
It was created on 2005-09-07 and last modified on 2023-12-30.
What is the InChIKey of the compound with PubChem CID 3358924?
The InChIKey is WNUOEXYOJHXGAX-UHFFFAOYSA-N.
What is the molecular weight of the compound with PubChem CID 3358924?
The molecular weight is 213.23 g/mol.
What is the Canonical SMILES representation of the compound with PubChem CID 3358924?
The Canonical SMILES is COC(=O)C1=CC=C(C=C1)C2=CC=CC=N2.
How many hydrogen bond acceptors does the compound with PubChem CID 3358924 have?
It has 3 hydrogen bond acceptors.
What is the XLogP3 value of the compound with PubChem CID?
The XLogP3 value is 2.5.
How many rotatable bonds does the compound with PubChem CID 3358924 have?
It has 3 rotatable bonds.
Is the compound with PubChem CID 3358924 canonicalized?
Yes, the compound is canonicalized.
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