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Specification
The molecular formula is C10H12O4.
Some synonyms include Benzaldehyde, 2-hydroxy-3,4-dimethoxy-6-methyl, and SCHEMBL12841729.
It was created on 2006-10-26 and last modified on 2023-11-25.
The InChI is InChI=1S/C10H12O4/c1-6-4-8(13-2)10(14-3)9(12)7(6)5-11/h4-5,12H,1-3H3.
The Canonical SMILES is CC1=CC(=C(C(=C1C=O)O)OC)OC.
The molecular weight is 196.20 g/mol.
It has 1 hydrogen bond donor count.
The rotatable bond count is 3.
The topological polar surface area is 55.8Ų.
Yes, the compound is canonicalized.