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Phenyl-[13C6]-acetic acid

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General Information
Catalog: BLP-001165
CAS: 1173020-54-6
Molecular Formula: C2[13C]6H8O2
Molecular Weight: 142.10

Chemical Structure

Description	Labelled form of Phenylethanoic acid.
Synonyms	(13C6)Phenylacetic acid
IUPAC Name	2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
Related CAS	103-82-2 (unlabelled)
Canonical SMILES	C1=CC=C(C=C1)CC(=O)O
InChI	InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/i1+1,2+1,3+1,4+1,5+1,7+1
InChI Key	WLJVXDMOQOGPHL-ZXJNGCBISA-N
Boiling Point	265 °C (lit.)
Melting Point	77-79 °C (lit.)
Purity	99% atom 13C
Density	1.128 g/mL at 25 °C