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4-Methoxy-[13C,d3]-benzoic acid

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General Information
Catalog: BLP-005765
CAS: 1216592-91-4
Molecular Formula: [13C]C7H5D3O3
Molecular Weight: 156.16

Chemical Structure

Description	4-Methoxy-[13C,d3]-benzoic acid is an isotope analogue of p-Anisic acid. p-Anisic acid is one of the isomers of anisic acid, with anti-bacterial and antiseptic properties.
IUPAC Name	4-(trideuterio(1-13C)methoxy)benzoic acid
Related CAS	100-09-4 (unlabelled)
Canonical SMILES	COC1=CC=C(C=C1)C(=O)O
InChI	InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)/i1+1D3
InChI Key	ZEYHEAKUIGZSGI-KQORAOOSSA-N
Melting Point	183-184°C
Purity	97% by CP; 99% atom 13C
Appearance	White Solid