2-Amino-3-(3-hydroxy-5-phenylisoxazol-4-yl)propionic acid

Base Information

• Chemical Name: 2-Amino-3-(3-hydroxy-5-phenylisoxazol-4-yl)propionic acid
• CAS No.: 154420-28-7
• Molecular Formula: C12H12 N2 O4
• Molecular Weight: 248.23
• DSSTox Substance ID: DTXSID90934986
• Nikkaji Number: J587.760A
• Wikidata: Q82910982
• ChEMBL ID: CHEMBL315203
• Mol file: 154420-28-7.mol

Synonyms:2-amino-3-(3-hydroxy-5-phenylisoxazol-4-yl)propionic acid;2-amino-3-(3-hydroxy-5-phenylisoxazol-4-yl)propionic acid, (+-)-isomer;2-amino-3-(3-hydroxy-5-phenylisoxazol-4-yl)propionic acid, (S-)-isomer;APPA-(R,S)

Chemical Property of 2-Amino-3-(3-hydroxy-5-phenylisoxazol-4-yl)propionic acid

Chemical Property:

• Vapor Pressure: 1.98E-12mmHg at 25°C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 109.58000
• Density: 1.39g/cm³
• LogP: 1.70190
• XLogP3: -2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 248.07970687
• Heavy Atom Count: 18
• Complexity: 386

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=O)NO2)CC(C(=O)O)N
• Isomeric SMILES: C1=CC=C(C=C1)C2=C(C(=O)NO2)C[C@H](C(=O)O)N