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p-Toluic Acid-[d4]

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General Information
Catalog: BLP-003924
CAS: 1219798-71-6
Molecular Formula: C8H4D4O2
Molecular Weight: 140.17

Chemical Structure

Synonyms	4-Methylbenzoic acid-d4; p-Toluic-2,3,5,6-D4 Acid
IUPAC Name	2,3,5,6-tetradeuterio-4-methylbenzoic acid
Related CAS	99-94-5 (unlabelled)
Canonical SMILES	CC1=CC=C(C=C1)C(=O)O
InChI	InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)/i2D,3D,4D,5D
InChI Key	LPNBBFKOUUSUDB-QFFDRWTDSA-N
Boiling Point	275.3±9.0°C at 760 mmHg
Purity	>98%
Density	1.2±0.1 g/cm3