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3-Benzoylpropanoic Acid-[13C6]

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General Information
Catalog: BLP-015704
CAS: 1346600-75-6
Molecular Formula: C413C6H10O3
Molecular Weight: 184.14

Chemical Structure

Description	3-Benzoylpropanoic Acid-13C6 (cas# 1346600-75-6) is a compound useful in organic synthesis.
Synonyms	4-Oxo-4-phenyl-13C6-butanoic Acid; 4-Oxo-4-phenyl-13C6-butyric Acid; 4-Phenyl-13C6-4-oxobutanoic Acid; 3-benzoyl-13C6-propanoic Acid; β-Benzoyl-13C6-propionic Αcid; γ-Oxobenzene-13C6-butanoic Acid
IUPAC Name	4-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-4-oxobutanoic acid
Isomeric SMILES	[13CH]1=[13CH][13CH]=[13C]([13CH]=[13CH]1)C(=O)CCC(=O)O
Canonical SMILES	C1=CC=C(C=C1)C(=O)CCC(=O)O
InChI	InChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)/i1+1,2+1,3+1,4+1,5+1,8+1
InChI Key	KMQLIDDEQAJAGJ-DEHIIRIRSA-N
Melting Point	115-117°C
Solubility	Chloroform (Slightly), Methanol (Slightly)
Appearance	Off-White to Pale Beige Solid
Storage	-20°C