4070-80-8 Purity
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Specification
The molecular formula of (S)-(+)-Ketopinic acid is C10H14O3.
The synonyms of (S)-(+)-Ketopinic acid are (+)-Ketopinic acid, (1S)-(+)-Ketopinic acid, and 40724-67-2.
The molecular weight of (S)-(+)-Ketopinic acid is 182.22 g/mol.
The IUPAC name of (S)-(+)-Ketopinic acid is (1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid.
The InChI of (S)-(+)-Ketopinic acid is InChI=1S/C10H14O3/c1-9(2)6-3-4-10(9,8(12)13)7(11)5-6/h6H,3-5H2,1-2H3,(H,12,13)/t6-,10+/m1/s1.
The InChIKey of (S)-(+)-Ketopinic acid is WDODWBQJVMBHCO-LDWIPMOCSA-N.
The canonical SMILES of (S)-(+)-Ketopinic acid is CC1(C2CCC1(C(=O)C2)C(=O)O)C.
The XLogP3-AA value of (S)-(+)-Ketopinic acid is 2.
Yes, (S)-(+)-Ketopinic acid is a canonicalized compound.