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  • 237787 - Ibotenic acid monohydrate from Amanita sp.

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237787 Sigma-Aldrich

Ibotenic acid monohydrate from Amanita sp.

97%

Synonym: α-(3-Hydroxy-5-isoxazolyl)glycine, α-Amino-2,3-dihydro-3-oxo-5-isoxazoleacetic acid, α-Amino-3-hydroxy-5-isoxazoleacetic acid

  • CAS Number 60573-88-8

  • Empirical Formula (Hill Notation) C5H6N2O4 · H2O

  • Molecular Weight 176.13

  •  Beilstein/REAXYS Number 1075440

  •  MDL number MFCD00150903

  •  PubChem Substance ID 329752503

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Properties

Related Categories Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Isoxazoles
assay   97%
mp   148-151 °C
SMILES string   O.NC(C(O)=O)C1=CC(=O)NO1
InChI   1S/C5H6N2O4.H2O/c6-4(5(9)10)2-1-3(8)7-11-2;/h1,4H,6H2,(H,7,8)(H,9,10);1H2
InChI key   QVKQQLYSTODTJN-UHFFFAOYSA-N
Safety & Documentation

Safety Information

Symbol 
GHS06  GHS06
Signal word 
Danger
Hazard statements 
Precautionary statements 
RIDADR 
UN 2811 6.1 / PGIII
WGK Germany 
3
RTECS 
NY2100000

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