Chemical Property of Trecetilide fumarate
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Chemical Property:
- Vapor Pressure:1.96E-12mmHg at 25°C
- Boiling Point:538.7°C at 760 mmHg
- Flash Point:279.6°C
- PSA:230.64000
- LogP:11.02360
- Hydrogen Bond Donor Count:6
- Hydrogen Bond Acceptor Count:16
- Rotatable Bond Count:30
- Exact Mass:948.51274337
- Heavy Atom Count:64
- Complexity:633
- Purity/Quality:
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Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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SDS file from LookChem
Useful:
- Canonical SMILES:CCN(CCCCCC(C)(C)F)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.CCN(CCCCCC(C)(C)F)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.C(=CC(=O)O)C(=O)O
- Isomeric SMILES:CCN(CCCCCC(C)(C)F)CCC[C@@H](C1=CC=C(C=C1)NS(=O)(=O)C)O.CCN(CCCCCC(C)(C)F)CCC[C@@H](C1=CC=C(C=C1)NS(=O)(=O)C)O.C(=C/C(=O)O)\C(=O)O