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Mono(3-carboxypropyl) Phthalate-[d4]

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General Information
Catalog: BLP-004778
CAS: 1346600-69-8
Molecular Formula: C12H8D4O6
Molecular Weight: 256.24

Chemical Structure

Synonyms	Mono(3-carboxypropyl) Phthalate D4; 1,2-Benzenedicarboxylic Acid Mono(3-carboxypropyl) Ester-d4; MCPP-d4; 2,3,4,5-Tetradeuterio-6-(4-hydroxy-4-oxobutoxy)carbonylbenzoic acid
IUPAC Name	2-(3-carboxypropoxycarbonyl)-3,4,5,6-tetradeuteriobenzoic acid
Related CAS	66851-46-5 (unlabelled)
Canonical SMILES	C1=CC=C(C(=C1)C(=O)O)C(=O)OCCCC(=O)O
InChI	InChI=1S/C12H12O6/c13-10(14)6-3-7-18-12(17)9-5-2-1-4-8(9)11(15)16/h1-2,4-5H,3,6-7H2,(H,13,14)(H,15,16)/i1D,2D,4D,5D
InChI Key	IYTPMLIWBZMBSL-GYABSUSNSA-N
Melting Point	110-112°C
Purity	>98%; >97% atom D
Solubility	Slightly soluble in DMSO, Methanol
Appearance	White Solid
Storage	Store at 2-8°C