Chemical Property of 4-O-Carboxymethylascochlorin
Chemical Property:
- Vapor Pressure:8.56E-16mmHg at 25°C
- Boiling Point:611.2°C at 760 mmHg
- Flash Point:323.4°C
- PSA:100.90000
- Density:1.236g/cm3
- LogP:5.31630
- XLogP3:6.1
- Hydrogen Bond Donor Count:2
- Hydrogen Bond Acceptor Count:6
- Rotatable Bond Count:8
- Exact Mass:462.1809164
- Heavy Atom Count:32
- Complexity:762
- 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:CC1CCC(=O)C(C1(C)C=CC(=CCC2=C(C(=C(C(=C2OCC(=O)O)Cl)C)C=O)O)C)C
- Isomeric SMILES:C[C@@H]1CCC(=O)[C@@H]([C@@]1(C)/C=C/C(=C/CC2=C(C(=C(C(=C2OCC(=O)O)Cl)C)C=O)O)/C)C