2922-42-1

Name (-)-3-DEHYDROSHIKIMIC ACID
CAS 2922-42-1
Molecular Formula C7H8O5
MDL Number MFCD00216518
Molecular Weight 172.14
MOL File 2922-42-1.mol
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Chemical Properties

Appearance Off-White Powder
Melting point  150-152 °C
Boiling point  405.1±45.0 °C(Predicted)
density  1.713±0.06 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  Methanol (Slightly), Water (Slightly)
form  Solid
pka 3.03±0.60(Predicted)
color  Off-White to Beige
Optical Rotation [α]/D -59.0±3.0°, c = 1 in ethanol
Stability: Temperature Sensitive
InChI 1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/t5-,6-/m1/s1
InChIKey SLWWJZMPHJJOPH-PHDIDXHHSA-N
SMILES O[C@@H]1CC(=CC(=O)[C@H]1O)C(O)=O || O[C@@H]1CC(=CC(=O)[C@H]1O)C(O)=O

Safety Data

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

Hazard Information

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