CAS
95833-44-6 Purity
96%
95833-44-6 Purity
96%
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Specification
The molecular formula is C10H9NO2S.
It was created on September 13, 2005.
The molecular weight is 207.25 g/mol.
The IUPAC name is 2-amino-2-(1-benzothiophen-3-yl)acetic acid.
The InChI is InChI=1S/C10H9NO2S/c11-9(10(12)13)7-5-14-8-4-2-1-3-6(7)8/h1-5,9H,11H2,(H,12,13).
The Canonical SMILES is C1=CC=C2C(=C1)C(=CS2)C(C(=O)O)N.
The CAS number is 95834-55-2.
It has 2 hydrogen bond donor counts.
The XLogP3-AA value is -0.7.
Yes, the compound is canonicalized in PubChem.