Octenoylpenicillin

Base Information

• Chemical Name: Octenoylpenicillin
• CAS No.: 137593-45-4
• Molecular Formula: C16H24 N2 O4 S
• Molecular Weight: 340.43776
• DSSTox Substance ID: DTXSID10160245
• Wikidata: Q83028607
• Mol file: 137593-45-4.mol

Synonyms:octenoylpenicillin

Chemical Property of Octenoylpenicillin

Chemical Property:

• Vapor Pressure: 2.9E-16mmHg at 25°C
• Boiling Point: 606.3°Cat760mmHg
• Flash Point: 320.5°C
• PSA: 115.50000
• Density: 1.27g/cm³
• LogP: 2.53280
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 340.14567842
• Heavy Atom Count: 23
• Complexity: 532

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC=CCC(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)O
• Isomeric SMILES: CCCC/C=C/CC(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O

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