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29953-71-7

Name trans-3-Indoleacrylic acid
CAS 29953-71-7
EINECS(EC#) 214-872-7
Molecular Formula C11H9NO2
MDL Number MFCD00005633
Molecular Weight 187.19
MOL File 29953-71-7.mol
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Chemical Properties

Appearance LIGHT BROWN CRYSTALLINE POWDER
Melting point  185 °C (dec.)(lit.)
Boiling point  321.94°C (rough estimate)
density  1.1963 (rough estimate)
refractive index  1.4900 (estimate)
storage temp.  Sealed in dry,2-8°C
solubility  DMSO (Slightly), Methanol (Slightly)
form  powder
pka 4.59±0.10(Predicted)
color  white to light yellow
Water Solubility  freely soluble
BRN  6317
Stability: Stable under recommended storage conditions., Stable Under Recommended Storage C
InChI InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+
InChIKey PLVPPLCLBIEYEA-AATRIKPKSA-N
SMILES C(O)(=O)/C=C/C1C2=C(NC=1)C=CC=C2
CAS DataBase Reference 29953-71-7(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 .
S37/39:Wear suitable gloves and eye/face protection .
WGK Germany  3
RTECS  NL3680000
HS Code  2933998090

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