N-(3-Chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)-L-aspartic acid

Base Information

• Chemical Name: N-(3-Chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)-L-aspartic acid
• CAS No.: 180179-62-8
• Molecular Formula: C14H10ClNO6
• Molecular Weight: 323.6853
• DSSTox Substance ID: DTXSID80939304

Synonyms:N-(3-Chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)-L-aspartic acid;180179-62-8;L-Aspartic acid, N-(3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)-;N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)aspartic acid;DTXSID80939304

Chemical Property of N-(3-Chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)-L-aspartic acid

Chemical Property:

• Vapor Pressure: 9.21E-11mmHg at 25°C
• Boiling Point: 498.6°Cat760mmHg
• Flash Point: 255.4°C
• Density: 1.63g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 323.0196647
• Heavy Atom Count: 22
• Complexity: 570

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC(CC(=O)O)C(=O)O
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)N[C@@H](CC(=O)O)C(=O)O

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