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PentylParaben-[d11]

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General Information
Catalog: BLP-003764
CAS: 1216496-15-9
Molecular Formula: C12H5D11O3
Molecular Weight: 219.32

Chemical Structure

Synonyms	4-Hydroxybenzoic Acid Pentyl-d11 Ester; 4-Hydroxybenzoic Acid n-Amyl-d11 Ester; Pentyl-d11 Paraben
IUPAC Name	1,1,2,2,3,3,4,4,5,5,5-undecadeuteriopentyl 4-hydroxybenzoate
Related CAS	6521-29-5 (unlabelled)
Canonical SMILES	CCCCCOC(=O)C1=CC=C(C=C1)O
InChI	InChI=1S/C12H16O3/c1-2-3-4-9-15-12(14)10-5-7-11(13)8-6-10/h5-8,13H,2-4,9H2,1H3/i1D3,2D2,3D2,4D2,9D2
InChI Key	ZNSSPLQZSUWFJT-YFJJFHRSSA-N
Melting Point	37-39°C
Solubility	Soluble in Chloroform, DMSO, Methanol
Appearance	White to Off-white Powder
Storage	Store at-20°C