(2R,6S)-2,6-dimethylheptanedioic Acid

Base Information

• Chemical Name: (2R,6S)-2,6-dimethylheptanedioic Acid
• CAS No.: 52137-33-4
• Molecular Formula: C9H16O4
• DSSTox Substance ID: DTXSID701031530
• Nikkaji Number: J1.216.818G

Synonyms:(2R,6S)-2,6-dimethylheptanedioic Acid;DTXSID701031530;rel-(2R,6S)-2,6-Dimethylheptanedioic acid;52137-33-4

Chemical Property of (2R,6S)-2,6-dimethylheptanedioic Acid

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 188.10485899
• Heavy Atom Count: 13
• Complexity: 168

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MSDS Files:

Useful:

• Canonical SMILES: CC(CCCC(C)C(=O)O)C(=O)O
• Isomeric SMILES: C[C@H](CCC[C@H](C)C(=O)O)C(=O)O

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