915920-13-7 Purity
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Specification
The molecular formula of Chembrdg-bb 4023095 is C10H11NO3S.
The molecular weight of Chembrdg-bb 4023095 is 225.27 g/mol.
Chembrdg-bb 4023095 was created on September 16, 2005.
The IUPAC name of Chembrdg-bb 4023095 is 2-(2-acetamidophenyl)sulfanylacetic acid.
The InChI of Chembrdg-bb 4023095 is InChI=1S/C10H11NO3S/c1-7(12)11-8-4-2-3-5-9(8)15-6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14).
The InChIKey of Chembrdg-bb 4023095 is JNBUZEDLPGRPFF-UHFFFAOYSA-N.
The canonical SMILES of Chembrdg-bb 4023095 is CC(=O)NC1=CC=CC=C1SCC(=O)O.
There are 2 hydrogen bond donor counts in Chembrdg-bb 4023095.
There are 4 hydrogen bond acceptor counts in Chembrdg-bb 4023095.
The topological polar surface area of Chembrdg-bb 4023095 is 91.7 Ų.