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Valproic acid (Propyl-1,1-D2, pentanoic-3,3-D2)

Catalog Number ACM87745173-1
CAS 87745-17-3
Structure Structure
Synonyms 2-pentanoic-d2 acid
IUPAC Name 3,3-dideuterio-2-(1,1-dideuteriopropyl)pentanoic acid
Molecular Weight 148.24
Molecular Formula C8H12D4O2
InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/i5D2,6D2
InChI Key NIJJYAXOARWZEE-NZLXMSDQSA-N
Boiling Point 220 °C (428 °F)
Flash Point 111 °C (232 °F)-closed cup
Purity 98%
Density 0.9 g/mL at 25 °C (77 °F)
Solubility Water: 2 g/L-slightly soluble
Appearance Colourless liquid
Chemical Formula (CH3CH2CD2)2CHCO2H
Isomeric SMILES [2H]C([2H])(CC)C(C(=O)O)C([2H])([2H])CC
Isotopic Enrichment 98 atom % D
Stability Stable if stored under recommended conditions.
Unlabeled CAS 99-66-1
Unlabeled Synonyms 2-Propylpentanoic acid
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