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3468-01-7

Name 3-Methylflavone-8-carboxylic acid
CAS 3468-01-7
EINECS(EC#) 222-425-2
Molecular Formula C17H12O4
MDL Number MFCD00040998
Molecular Weight 280.27
MOL File 3468-01-7.mol
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Chemical Properties

Appearance White Crystalline Solid
Melting point  234-236°C
Boiling point  485.1±45.0 °C(Predicted)
density  1.335±0.06 g/cm3(Predicted)
storage temp.  Store below +30°C.
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 2.85±0.40(Predicted)
color  White
Usage The main active metabolite of Flavoxate hydrochloride (FX) in human.
BRN  1433509
InChI InChI=1S/C17H12O4/c1-10-14(18)12-8-5-9-13(17(19)20)16(12)21-15(10)11-6-3-2-4-7-11/h2-9H,1H3,(H,19,20)
InChIKey KMMBBZOSQNLLMN-UHFFFAOYSA-N
SMILES C1(C2=CC=CC=C2)OC2=C(C(O)=O)C=CC=C2C(=O)C=1C
CAS DataBase Reference 3468-01-7(CAS DataBase Reference)

Safety Data

Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
HS Code  2932996560

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