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7-(Diethylamino)coumarin-3-carbonitrile

Name: 7-(Diethylamino)coumarin-3-carbonitrile
SKU: ACM51473746-2
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Catalog NumberACM51473746-2

CAS Number51473-74-6

CategoryCoumarin Dyes; Other Materials

Synonyms

7-(diethylamino)-2-oxo-2H-chromene-3-carbonitrile

IUPAC Name

7-(diethylamino)-2-oxochromene-3-carbonitrile

Molecular Weight

242.28

Molecular Formula

C14H14N2O2

Canonical SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C#N

InChI

InChI=1S/C14H14N2O2/c1-3-16(4-2)12-6-5-10-7-11(9-15)14(17)18-13(10)8-12/h5-8H,3-4H2,1-2H3

InChI Key

LOUYEVRVQGFIFB-UHFFFAOYSA-N

Melting Point

230 °C

Purity

≥97%

Appearance

Powder or solid

Storage

-20 °C in the dark

Complexity

403

Covalently-Bonded Unit Count

Exact Mass

242.105528g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

242.105528g/mol

Rotatable Bond Count

XLogP3

2.7

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