3-(2-Benzoxazolyl)alanine

Base Information

• Chemical Name: 3-(2-Benzoxazolyl)alanine
• CAS No.: 88549-23-9
• Molecular Formula: C10H10N2O3
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID201008221
• Wikidata: Q83004612
• Mol file: 88549-23-9.mol

Synonyms:3-(2-benzoxazolyl)alanine;3-BOAL

Chemical Property of 3-(2-Benzoxazolyl)alanine

Chemical Property:

• Vapor Pressure: 8.82E-07mmHg at 25°C
• Boiling Point: 390°C at 760 mmHg
• Flash Point: 189.7°C
• PSA: 89.35000
• Density: 1.397g/cm³
• LogP: 1.48250
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 206.06914219
• Heavy Atom Count: 15
• Complexity: 247

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(O2)CC(C(=O)O)N
• Isomeric SMILES: C1=CC=C2C(=C1)N=C(O2)C[C@@H](C(=O)O)N

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