CID 9808901

Base Information

• Chemical Name: CID 9808901
• CAS No.: 74469-00-4
• Molecular Formula: C16H19N3O5S•C8H9NO5•K
• Molecular Weight: 603.72
• Mol file: 74469-00-4.mol

Synonyms:

Chemical Property of CID 9808901

Chemical Property:

• Vapor Pressure: 3.39E-23mmHg at 25°C
• Boiling Point: 743.2°C at 760 mmHg
• Flash Point: 403.3°C
• PSA: 248.16000
• LogP: -1.43960
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 603.11632076
• Heavy Atom Count: 40
• Complexity: 914

Purity/Quality:

99%, ^*data from raw suppliers

Augmentin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C.C1C2N(C1=O)C(C(=CCO)O2)C(=O)O.[K]
• Isomeric SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C.C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O.[K]