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Specification
The molecular formula of 3-Allyl-4,5-dimethoxybenzoic acid is C12H14O4.
The molecular weight of 3-Allyl-4,5-dimethoxybenzoic acid is 222.24 g/mol.
The IUPAC name of 3-Allyl-4,5-dimethoxybenzoic acid is 3,4-dimethoxy-5-prop-2-enylbenzoic acid.
The InChI of 3-Allyl-4,5-dimethoxybenzoic acid is InChI=1S/C12H14O4/c1-4-5-8-6-9(12(13)14)7-10(15-2)11(8)16-3/h4,6-7H,1,5H2,2-3H3,(H,13,14).
The InChIKey of 3-Allyl-4,5-dimethoxybenzoic acid is OOIOZZQYJBKCMV-UHFFFAOYSA-N.
The canonical SMILES of 3-Allyl-4,5-dimethoxybenzoic acid is COC1=CC(=CC(=C1OC)CC=C)C(=O)O.
The CAS number of 3-Allyl-4,5-dimethoxybenzoic acid is 647855-45-6.
There is 1 hydrogen bond donor atom in 3-Allyl-4,5-dimethoxybenzoic acid.
There are 5 rotatable bonds in 3-Allyl-4,5-dimethoxybenzoic acid.