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PentylParaben-[d11]

General Information
Catalog: BLP-003764
CAS: 1216496-15-9
Molecular Formula: C12H5D11O3
Molecular Weight: 219.32
Chemical Structure
PentylParaben-[d11]
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

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