(2Z)-2-[(1,3-benzodioxol-5-ylamino)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one

Base Information

• Chemical Name: (2Z)-2-[(1,3-benzodioxol-5-ylamino)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
• CAS No.: 5959-73-9
• Molecular Formula: C19H17NO4
• Molecular Weight: 323.3426
• DSSTox Substance ID: DTXSID20387022

Synonyms:5959-73-9;AC1MEHZW;DTXSID20387022;AKOS000608838;BIM-0048586.P001

Chemical Property of (2Z)-2-[(1,3-benzodioxol-5-ylamino)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one

Chemical Property:

• Vapor Pressure: 1.87E-10mmHg at 25°C
• Boiling Point: 508.3°Cat760mmHg
• Flash Point: 261.2°C
• Density: 1.39g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 323.11575802
• Heavy Atom Count: 24
• Complexity: 506

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)C(=O)C(=CNC3=CC4=C(C=C3)OCO4)CC2
• Isomeric SMILES: COC1=CC2=C(C=C1)C(=O)/C(=C\NC3=CC4=C(C=C3)OCO4)/CC2

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