CAS
97197-13-2 Purity
96%
97197-13-2 Purity
96%
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Specification
The molecular formula is C11H15NO2.
It was created on December 8, 2006.
The IUPAC Name is 3-(diethylamino)benzoic acid.
The Canonical SMILES is CCN(CC)C1=CC=CC(=C1)C(=O)O.
The Molecular Weight is 193.24 g/mol.
The CAS number is 25642-60-8.
The XLogP3 value is 2.3.
There is 1 hydrogen bond donor count.
The topological polar surface area is 40.5 Å2.
Yes, it is canonicalized in PubChem as a covalently-bonded unit.