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40724-67-2

Name (S)-(+)-KETOPINIC ACID
CAS 40724-67-2
Molecular Formula C10H14O3
MDL Number MFCD08061242
Molecular Weight 182.22
MOL File 40724-67-2.mol
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Chemical Properties

Melting point  237-239 °C(lit.)
alpha  58 º (C=1 IN CHLOROFORM)
Boiling point  313.3±25.0 °C(Predicted)
density  1.238±0.06 g/cm3(Predicted)
refractive index  25.5 ° (C=0.65, MeOH)
storage temp.  Sealed in dry,Room Temperature
form  powder to crystal
pka 3.67±0.40(Predicted)
color  White to Almost white
Optical Rotation [α]23/D +58°, c = 1 in chloroform
BRN  4180005
InChI InChI=1S/C10H14O3/c1-9(2)6-3-4-10(9,8(12)13)7(11)5-6/h6H,3-5H2,1-2H3,(H,12,13)/t6-,10+/m1/s1
InChIKey WDODWBQJVMBHCO-LDWIPMOCSA-N
SMILES [C@]12(C(O)=O)C(C)(C)[C@]([H])(CC1)CC2=O
CAS DataBase Reference 40724-67-2(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
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 .
WGK Germany  3
HS Code  2918300090

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