Indolylacryloylglycine

Base Information

• Chemical Name: Indolylacryloylglycine
• CAS No.: 3475-68-1
• Molecular Formula: C13H12 N2 O3
• Molecular Weight: 244.25
• UNII: NEY8PP6VM8
• Nikkaji Number: J981.201F
• Wikipedia: Indolyl-3-acryloylglycine
• Wikidata: Q15411025
• Metabolomics Workbench ID: 38793
• Mol file: 3475-68-1.mol

Synonyms:indoleacrylic glycine;indolyl-3-acryloylglycine;indolylacryloylglycine;indolylacryloylglycine, (E)-isomer

Chemical Property of Indolylacryloylglycine

Chemical Property:

• Vapor Pressure: 7.16E-17mmHg at 25°C
• Boiling Point: 632.6°Cat760mmHg
• PKA: 3.67±0.10(Predicted)
• Flash Point: 336.4°C
• PSA: 82.19000
• Density: 1.384g/cm³
• LogP: 1.77280
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 244.08479225
• Heavy Atom Count: 18
• Complexity: 354

Purity/Quality:

95% ^*data from raw suppliers

INDOLE-3-ACRYLOYLGLYCINE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)C=CC(=O)NCC(=O)O
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CN2)/C=C/C(=O)NCC(=O)O

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