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Coumarin-[d4]

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General Information
Catalog: BLP-012276
CAS: 185056-83-1
Molecular Formula: C9H2D4O2
Molecular Weight: 150.15

Chemical Structure

Description	Coumarin-[d4] is the labelled analogue of Coumarin. Coumarin is a chemical compound found in many plants with an anticoagulant activity.
Synonyms	2H-1-Benzopyran-2-one-5,6,7,8-d4; 1,2-Benzopyrone-d4; 5,6-Benzo-2-pyrone-d4; Benzo-α-pyrone-d4; Coumarinic Anhydride-d4; NSC 8774-d4; Rattex-d4; cis-o-Coumarinic Acid-d4 Lactone; o-Hydroxycinnamic Acid-d4 Lactone
IUPAC Name	5,6,7,8-tetradeuteriochromen-2-one
Related CAS	91-64-5 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C2C(=C1[2H])C=CC(=O)O2)[2H])[2H]
Canonical SMILES	C1=CC=C2C(=C1)C=CC(=O)O2
InChI	InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H/i1D,2D,3D,4D
InChI Key	ZYGHJZDHTFUPRJ-RHQRLBAQSA-N
Boiling Point	298.0±0.0 °C at 760 mmHg
Melting Point	61-62°C
Flash Point	118.3±16.1 °C
Purity	95% by HPLC; 95% atom D
Density	1.2±0.1 g/cm3
Solubility	Soluble in Chloroform, Ethyl Acetate, Methanol
Appearance	White to Pale Yellow Solid
Storage	Store at -20°C