Coumafuryl
CAS Registry Number®
117-52-2
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CAS Name
CoumafurylMolecular Formula
C17H14O5Molecular Mass
298.29Cite this Page
Coumafuryl. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=117-52-2 (retrieved ) (CAS RN: 117-52-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
124 °C
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
Other Names and Identifiers
InChI
InChI=1S/C17H14O5/c1-10(18)9-12(13-7-4-8-21-13)15-16(19)11-5-2-3-6-14(11)22-17(15)20/h2-8,12,19H,9H2,1H3
InChIKey
InChIKey=JFIXKFSJCQNGEK-UHFFFAOYSA-N
SMILES
C(CC(C)=O)(C1=C(O)C=2C(OC1=O)=CC=CC2)C3=CC=CO3
Canonical SMILES
O=C1OC=2C=CC=CC2C(O)=C1C(C=3OC=CC3)CC(=O)C
Other Names for this Substance
- 2H-1-Benzopyran-2-one, 3-[1-(2-furanyl)-3-oxobutyl]-4-hydroxy-
- Coumarin, 3-(α-acetonylfurfuryl)-4-hydroxy-
- 3-[1-(2-Furanyl)-3-oxobutyl]-4-hydroxy-2H-1-benzopyran-2-one
- 3-(α-Acetonylfurfuryl)-4-hydroxycoumarin
- 3-(1-Furyl-3-acetylethyl)-4-hydroxycoumarin
Deleted or Replaced CAS Registry Numbers
154670-14-1
