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Phthalic-α,α−[13C2] acid

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General Information
Catalog: BLP-001178
CAS: 70838-83-4
Molecular Formula: C6[13C]2H6O4
Molecular Weight: 168.12

Chemical Structure

Description	Labelled Phthalic Acid.
Synonyms	1,2-Benzenedicarboxylic-13C2 acid; Phthalic-(dicarboxyl-13C2) acid; [α-13C]phthalic acid; PHTHALIC-CARBOXY-13C2 ACID
IUPAC Name	phthalic acid
Related CAS	88-99-3 (unlabelled)
Isomeric SMILES	C1=CC=C(C(=C1)[13C](=O)O)[13C](=O)O
Canonical SMILES	C1=CC=C(C(=C1)C(=O)O)C(=O)O
InChI	InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)/i7+1,8+1
InChI Key	XNGIFLGASWRNHJ-BFGUONQLSA-N
Melting Point	210-211 °C (lit.)
Purity	≥99%; 99% atom 13C