915923-08-9 Purity
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Specification
The molecular formula of Chembrdg-bb 9070788 is C14H19NO3.
The molecular weight of Chembrdg-bb 9070788 is 249.30 g/mol.
The IUPAC name of Chembrdg-bb 9070788 is 3-(2-ethylbutanoylamino)-4-methylbenzoic acid.
The Canonical SMILES of Chembrdg-bb 9070788 is CCC(CC)C(=O)NC1=C(C=CC(=C1)C(=O)O)C.
The InChIKey of Chembrdg-bb 9070788 is JXBTVWHOQDPLFN-UHFFFAOYSA-N.
There are 2 hydrogen bond donor counts in Chembrdg-bb 9070788.
The topological polar surface area of Chembrdg-bb 9070788 is 66.4 Ų.
There are 5 rotatable bond counts in Chembrdg-bb 9070788.
Yes, the compound is canonicalized for Chembrdg-bb 9070788.
The complexity value of Chembrdg-bb 9070788 is 299.