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Specification
The molecular formula of 3-Formylphenoxyacetic acid is C9H8O4.
The molecular weight of 3-Formylphenoxyacetic acid is 180.16 g/mol.
The IUPAC name of 3-Formylphenoxyacetic acid is 2-(3-formylphenoxy)acetic acid.
The InChI of 3-Formylphenoxyacetic acid is InChI=1S/C9H8O4/c10-5-7-2-1-3-8(4-7)13-6-9(11)12/h1-5H,6H2,(H,11,12).
The InChIKey of 3-Formylphenoxyacetic acid is KHBBQMHTRDEPCR-UHFFFAOYSA-N.
The canonical SMILES of 3-Formylphenoxyacetic acid is C1=CC(=CC(=C1)OCC(=O)O)C=O.
The CAS number of 3-Formylphenoxyacetic acid is 37748-09-7.
3-Formylphenoxyacetic acid has 1 hydrogen bond donor count.
3-Formylphenoxyacetic acid has 4 hydrogen bond acceptor counts.