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Hydrocinnamic acid-[2,3-13C2]

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General Information
Catalog: BLP-011192
CAS: 286367-71-3
Molecular Formula: C7[13C]2H10O2
Molecular Weight: 152.16

Chemical Structure

Description	Hydrocinnamic acid-[2,3-13C2] is the labelled analogue of Hydrocinnamic acid. Hydrocinnamic acid, also known as phenylpropanoate or dihydrocinnamate, belongs to the class of organic compounds known as phenylpropanoic acids. Hydrocinnamic acid has a wide variety of uses including in cosmetics, food additives, and pharmaceuticals.
Synonyms	3-Phenylpropionic acid-2,3-13C2; Hydrocinnamic acid-2,3-13C2
IUPAC Name	3-phenyl(2,3-13C2)propanoic acid
Related CAS	501-52-0 (unlabelled)
Isomeric SMILES	C1=CC=C(C=C1)[13CH2][13CH2]C(=O)O
Canonical SMILES	C1=CC=C(C=C1)CCC(=O)O
InChI	InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)/i6+1,7+1
InChI Key	XMIIGOLPHOKFCH-AKZCFXPHSA-N
Boiling Point	280°C (lit.)
Melting Point	47-49°C (lit.)
Purity	99% atom 13C
Density	1.085 g/cm3 at 25°C