3-Pyridine methanol theophylline acetate

Base Information

• Chemical Name: 3-Pyridine methanol theophylline acetate
• CAS No.: 58965-65-4
• Molecular Formula: C15H17N5O5
• Molecular Weight: 347.326
• DSSTox Substance ID: DTXSID90207703

Synonyms:3-Pyridine methanol theophylline acetate;Theophylline acetate de 3-pyridinemethanol [French];58965-65-4;Theophylline acetate de 3-pyridinemethanol;C9H10N4O4.C6H7NO;DTXSID90207703;C9-H10-N4-O4.C6-H7-N-O;LS-126446

Chemical Property of 3-Pyridine methanol theophylline acetate

Chemical Property:

• Vapor Pressure: 3.48E-13mmHg at 25°C
• Boiling Point: 555.7°C at 760 mmHg
• Flash Point: 289.9°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 347.12296866
• Heavy Atom Count: 25
• Complexity: 451

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.C1=CC(=CN=C1)CO

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