2212021-78-6

Name 1H-Indole-2-carboxylic acid, 5-[(4S)-tetrahydro-2,2-dimethyl-2H-pyran-4-yl]-
CAS 2212021-78-6
Molecular Formula C16H19NO3
Molecular Weight 273.33
MOL File 2212021-78-6.mol
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Chemical Properties

Boiling point  494.7±35.0 °C(Predicted)
density  1.214±0.06 g/cm3(Predicted)
pka 4.44±0.30(Predicted)
InChI InChI=1S/C16H19NO3/c1-16(2)9-11(5-6-20-16)10-3-4-13-12(7-10)8-14(17-13)15(18)19/h3-4,7-8,11,17H,5-6,9H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKey NVBMOQKLLRKTRD-NSHDSACASA-N
SMILES N1C2=C(C=C([C@H]3CCOC(C)(C)C3)C=C2)C=C1C(O)=O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P280-P305+P351+P338

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