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22139-77-1

Name PINOSYLVIN
CAS 22139-77-1
EINECS(EC#) 683-184-0
Molecular Formula C14H12O2
MDL Number MFCD00210544
Molecular Weight 212.24
MOL File 22139-77-1.mol
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Chemical Properties

Melting point  155.5-156°
Boiling point  312.08°C (rough estimate)
density  1.1035 (rough estimate)
refractive index  1.6000 (estimate)
storage temp.  2-8°C
solubility  DMF: 10mg/mL; DMF:PBS (pH 7.2) (1:50): 0.01mg/mL; DMSO: 10mg/mL; Ethanol: 20mg/mL; Ethanol:PBS (pH 7.2) (1:50): 0.01mg/mL
form  A solid
pka 9.34±0.10(Predicted)
color  White to off-white
BRN  1870942
InChI InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+
InChIKey YCVPRTHEGLPYPB-VOTSOKGWSA-N
SMILES C1(O)=CC(/C=C/C2=CC=CC=C2)=CC(O)=C1
LogP 3.680 (est)

Safety Data

Hazard Codes  Xn,N
Risk Statements 
Safety Statements 
RIDADR  UN 3077 9 / PGIII
WGK Germany  3
RTECS  WJ5580000

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