Calcium bis(1-acetyl-5-oxo-L-prolinate)

Base Information

• Chemical Name: Calcium bis(1-acetyl-5-oxo-L-prolinate)
• CAS No.: 70050-42-9
• Molecular Formula: C7H9 N O4 . 1/2 Ca
• Molecular Weight: 380.36344
• European Community (EC) Number: 274-289-9
• DSSTox Substance ID: DTXSID50220337
• Nikkaji Number: J318.111A
• Mol file: 70050-42-9.mol

Synonyms:Calcium bis(1-acetyl-5-oxo-L-prolinate);70050-42-9;EINECS 274-289-9;C7H9NO4.1/2Ca;DTXSID50220337;C7-H9-N-O4.1/2Ca;Bis(1-acetyl-5-oxo-L-proline)calcium salt

Chemical Property of Calcium bis(1-acetyl-5-oxo-L-prolinate)

Chemical Property:

• PSA: 155.02000
• LogP: -3.57660
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 380.0532563
• Heavy Atom Count: 25
• Complexity: 242

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1C(CCC1=O)C(=O)[O-].CC(=O)N1C(CCC1=O)C(=O)[O-].[Ca+2]
• Isomeric SMILES: CC(=O)N1[C@@H](CCC1=O)C(=O)[O-].CC(=O)N1[C@@H](CCC1=O)C(=O)[O-].[Ca+2]

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