CAS
914349-39-6 Purity
96%
914349-39-6 Purity
96%
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3-(2-Aminopyrimidin-5-yl)benzoic acid
CAS
914349-45-4
Catalog Number
ACM914349454
Category
Other Products
Molecular Weight
215.21
Molecular Formula
C11H9N3O2
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Specification
Density
1.379
What is the molecular formula of the compound with PubChem CID 45036849?
The molecular formula is C11H9N3O2.
What is the molecular weight of the compound?
The molecular weight is 215.21 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 3-(2-aminopyrimidin-5-yl)benzoic acid.
What is the InChI representation of the compound?
The InChI representation is InChI=1S/C11H9N3O2/c12-11-13-5-9(6-14-11)7-2-1-3-8(4-7)10(15)16/h1-6H,(H,15,16)(H2,12,13,14).
What is the InChIKey of the compound?
The InChIKey is QFVFXTMOJRFRPF-UHFFFAOYSA-N.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES representation is C1=CC(=CC(=C1)C(=O)O)C2=CN=C(N=C2)N.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 1.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 89.1 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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