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3,4-Dimethoxy-cinnamic Acid-[7,8,9-13C3]

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General Information
Catalog: BLP-010451
CAS: 1185241-38-6
Molecular Formula: C8[13C]3H12O4
Molecular Weight: 211.19

Chemical Structure

Synonyms	3,4-Dimethoxy[7,8,9-13C3]-cinnamic Acid; (2E)-3-(3,4-Dimethoxyphenyl)-2-propenoic Acid-13C3; (E)-3,4-Dimethoxycinnamic Acid-13C3; 3,4-Dimethoxy-trans-cinnamic Acid-13C3
IUPAC Name	(E)-3-(3,4-dimethoxyphenyl)(1,2,3-13C3)prop-2-enoic acid
Related CAS	14737-89-4 (unlabelled)
Canonical SMILES	COC1=C(C=C(C=C1)C=CC(=O)O)OC
InChI	InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+/i4+1,6+1,11+1
InChI Key	HJBWJAPEBGSQPR-MELSJBJPSA-N
Melting Point	176-178°C
Purity	97%; ≥98% atom 13C
Solubility	Soluble in Chloroform, DMSO, Ethyl Acetate
Appearance	White to Off-white Solid
Storage	Store at 2-8°C