93983-26-7 Purity
96%
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Specification
The molecular formula is C16H15NO3.
Synonyms include 14735-72-9, 93983-63-2, and METHYL 2-[[[4-METHOXYPHENYL)METHYLENE]AMINO]BENZOATE.
The computed molecular weight is 269.29 g/mol.
The IUPAC Name is methyl 2-[(4-methoxyphenyl)methylideneamino]benzoate.
The Canonical SMILES representation is COC1=CC=C(C=C1)C=NC2=CC=CC=C2C(=O)OC.
The InChIKey is VYSXJKIBCGUXTM-UHFFFAOYSA-N.
There are 4 hydrogen bond acceptors in Methyl 2-[[(4-methoxyphenyl)methylene]amino]benzoate.
The topological polar surface area is 47.9 Å2.
There are 5 rotatable bond counts.
Yes, the compound is canonicalized.