6'-Diethylamino-3-oxo-2'-phenylaminospiro(isobenzofuran-1(3H),9'(9H)xanthene)-5-carboxylic acid

Base Information

• Chemical Name: 6'-Diethylamino-3-oxo-2'-phenylaminospiro(isobenzofuran-1(3H),9'(9H)xanthene)-5-carboxylic acid
• CAS No.: 71799-72-9
• Molecular Formula: C31H26N2O5
• Molecular Weight: 506.5485
• Mol file: 71799-72-9.mol

Synonyms:6'-Diethylamino-3-oxo-2'-phenylaminospiro(isobenzofuran-1(3H),9'(9H)xanthene)-5-carboxylic acid

Chemical Property of 6'-Diethylamino-3-oxo-2'-phenylaminospiro(isobenzofuran-1(3H),9'(9H)xanthene)-5-carboxylic acid

Chemical Property:

• Boiling Point: 749.8°Cat760mmHg
• Flash Point: 407.3°C
• PSA: 88.10000
• Density: 1.4g/cm³
• LogP: 6.61560
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 506.18417193
• Heavy Atom Count: 38
• Complexity: 872

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=CC2=C(C=C1)C3(C4=C(C=C(C=C4)C(=O)O)C(=O)O3)C5=C(O2)C=CC(=C5)NC6=CC=CC=C6
• Isomeric SMILES: CCN(CC)C1=CC2=C(C=C1)[C@]3(C4=C(C=C(C=C4)C(=O)O)C(=O)O3)C5=C(O2)C=CC(=C5)NC6=CC=CC=C6

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