4222-02-0

Name 4,5,7-TRIHYDROXY-3-PHENYLCOUMARIN
CAS 4222-02-0
Molecular Formula C15H10O5
MDL Number MFCD02113838
Molecular Weight 270.24
MOL File 4222-02-0.mol
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Chemical Properties

Melting point  268-272 °C
Boiling point  591.0±50.0 °C(Predicted)
density  1.579±0.06 g/cm3(Predicted)
form  solid
pka 4.50±1.00(Predicted)
InChI 1S/C15H10O5.H2O/c16-9-6-10(17)13-11(7-9)20-15(19)12(14(13)18)8-4-2-1-3-5-8;/h1-7,16-18H;1H2
InChIKey PGNAALCVWSQLDG-UHFFFAOYSA-N
SMILES O.Oc1cc(O)c2C(O)=C(C(=O)Oc2c1)c3ccccc3

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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