Chemical Property of (3S)-3-(5-anilino-2-ethoxyphenyl)-3-[4-(diethylamino)-2-hydroxyphenyl]-1-oxo-2-benzofuran-5-carboxylic acid
Chemical Property:
- Vapor Pressure:3.25E-26mmHg at 25°C
- Boiling Point:788.7°Cat760mmHg
- PKA:3.59±0.40(Predicted)
- Flash Point:430.8°C
- PSA：108.33000
- Density:1.311g/cm3
- LogP:6.61420
- XLogP3:6.4
- Hydrogen Bond Donor Count:3
- Hydrogen Bond Acceptor Count:8
- Rotatable Bond Count:10
- Exact Mass:552.22603674
- Heavy Atom Count:41
- Complexity:891
- Purity/Quality:
-
85.0-99.8% *data from raw suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=CC(=C4)NC5=CC=CC=C5)OCC)O
- Isomeric SMILES:CCN(CC)C1=CC(=C(C=C1)[C@@]2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=CC(=C4)NC5=CC=CC=C5)OCC)O
