N-Hydroxyphenacetin glucuronide

Base Information

• Chemical Name: N-Hydroxyphenacetin glucuronide
• CAS No.: 69783-19-3
• Molecular Formula: C16H21 N O9
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID50990028
• Wikidata: Q82979368
• Mol file: 69783-19-3.mol

Synonyms:N-hydroxyphenacetin glucuronide;phenacetin N-O-glucuronide

Chemical Property of N-Hydroxyphenacetin glucuronide

Chemical Property:

• Vapor Pressure: 3.79E-16mmHg at 25°C
• Boiling Point: 618.3°C at 760 mmHg
• Flash Point: 327.7°C
• PSA: 145.99000
• Density: 1.5g/cm³
• LogP: -0.73800
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 371.12163125
• Heavy Atom Count: 26
• Complexity: 494

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)N(C(=O)C)OC2C(C(C(C(O2)C(=O)O)O)O)O
• Isomeric SMILES: CCOC1=CC=C(C=C1)N(C(=O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O

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