CAS
186825-36-5 Purity
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186825-36-5 Purity
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Specification
The molecular formula is C12H8O4.
The molecular weight is 216.19 g/mol.
The IUPAC name is 4-formyl-3-hydroxynaphthalene-2-carboxylic acid.
The InChI is InChI=1S/C12H8O4/c13-6-10-8-4-2-1-3-7(8)5-9(11(10)14)12(15)16/h1-6,14H,(H,15,16).
The InChIKey is LPRBZICETYEWOZ-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C2C(=C1)C=C(C(=C2C=O)O)C(=O)O.
The CAS number is 38399-46-1.
The XLogP3-AA value is 2.4.
It has 2 hydrogen bond donor counts.
It has 4 hydrogen bond acceptor counts.