499-20-7

Name DHURRIN
CAS 499-20-7
EINECS(EC#) 207-878-6
Molecular Formula C14H17NO7
MDL Number MFCD00075955
Molecular Weight 311.29
MOL File 499-20-7.mol
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Chemical Properties

Melting point  200°C (dec.)
alpha  D20 -65° (alc)
Boiling point  586.7±50.0 °C(Predicted)
density  1.56±0.1 g/cm3(Predicted)
storage temp.  room temp
form  powder or crystals
pka 9.19±0.26(Predicted)
color  white to light brown
InChI 1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1
InChIKey NVLTYOJHPBMILU-YOVYLDAJSA-N
SMILES OC[C@H]1O[C@@H](O[C@H](C#N)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O || OC[C@H]1O[C@@H](O[C@H](C#N)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
LogP -1.650 (est)

Safety Data

Hazard Codes  Xn
Risk Statements 
Safety Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

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