2-(Acetyloxy)benzoic acid mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

Base Information

• Chemical Name: 2-(Acetyloxy)benzoic acid mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
• CAS No.: 53908-20-6
• Molecular Formula: C17H18N4O6
• Molecular Weight: 374.34802
• DSSTox Substance ID: DTXSID00202183
• Mol file: 53908-20-6.mol

Synonyms:53908-20-6;2-(Acetyloxy)benzoic acid mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione;Benzoic acid, 2-(acetyloxy)-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione;SCHEMBL18152858;DTXSID00202183;C9H8O4.C8H10N4O2;C9-H8-O4.C8-H10-N4-O2

Chemical Property of 2-(Acetyloxy)benzoic acid mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

Chemical Property:

• Vapor Pressure: 3.72E-07mmHg at 25°C
• Boiling Point: 416.8°Cat760mmHg
• Flash Point: 205.9°C
• PSA: 125.42000
• Density: g/cm³
• LogP: 0.28080
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 374.12263431
• Heavy Atom Count: 27
• Complexity: 505

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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Useful:

• Canonical SMILES: CC(=O)OC1=CC=CC=C1C(=O)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C

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