CAS
91012-53-2 Purity
98 %
91012-53-2 Purity
98 %
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Specification
The molecular formula is C10H13NO3.
The molecular weight is 195.21 g/mol.
It was created on September 13, 2005.
The IUPAC name is 2-amino-2-(2-ethoxyphenyl)acetic acid.
The InChI is InChI=1S/C10H13NO3/c1-2-14-8-6-4-3-5-7(8)9(11)10(12)13/h3-6,9H,2,11H2,1H3,(H,12,13).
The Canonical SMILES is CCOC1=CC=CC=C1C(C(=O)O)N.
There are 2 hydrogen bond donor counts.
The Topological Polar Surface Area is 72.6 ².
Yes, it is canonicalized.
The formal charge is 0.