993-70-4 Purity
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Specification
The molecular formula of 2-Phenylthiazolidine-4-carboxylic acid methyl ester is C11H13NO2S.
The molecular weight of 2-Phenylthiazolidine-4-carboxylic acid methyl ester is 223.29 g/mol.
The IUPAC name of 2-Phenylthiazolidine-4-carboxylic acid methyl ester is methyl 2-phenyl-1,3-thiazolidine-4-carboxylate.
The InChI code of 2-Phenylthiazolidine-4-carboxylic acid methyl ester is InChI=1S/C11H13NO2S/c1-14-11(13)9-7-15-10(12-9)8-5-3-2-4-6-8/h2-6,9-10,12H,7H2,1H3.
The Canonical SMILES of 2-Phenylthiazolidine-4-carboxylic acid methyl ester is COC(=O)C1CSC(N1)C2=CC=CC=C2.
The XLogP3-AA value of 2-Phenylthiazolidine-4-carboxylic acid methyl ester is 1.8.
There is 1 hydrogen bond donor count in 2-Phenylthiazolidine-4-carboxylic acid methyl ester.
There are 4 hydrogen bond acceptor counts in 2-Phenylthiazolidine-4-carboxylic acid methyl ester.
The topological polar surface area of 2-Phenylthiazolidine-4-carboxylic acid methyl ester is 63.6 Å2.
Yes, the compound is canonicalized.