(2E)-4-oxo-4-({3-[(propan-2-yloxy)carbonyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl}amino)but-2-enoic acid

Base Information

• Chemical Name: (2E)-4-oxo-4-({3-[(propan-2-yloxy)carbonyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl}amino)but-2-enoic acid
• CAS No.: 5703-35-5
• Molecular Formula: C12H24 O4 Sn
• Molecular Weight: 351.4173
• DSSTox Substance ID: DTXSID90417062
• Wikidata: Q82226722

Synonyms:5703-35-5;ST50916064;DTXSID90417062;CCG-13091;STK430140;AKOS003254434;BIM-0017215.P001;SR-01000217701;SR-01000217701-1;(2E)-4-oxo-4-({3-[(propan-2-yloxy)carbonyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl}amino)but-2-enoic acid

Chemical Property of (2E)-4-oxo-4-({3-[(propan-2-yloxy)carbonyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl}amino)but-2-enoic acid

Chemical Property:

• Vapor Pressure: 1.57E-15mmHg at 25°C
• Boiling Point: 605.8°C at 760 mmHg
• Flash Point: 320.2°C
• Density: 1.305g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 351.11404394
• Heavy Atom Count: 24
• Complexity: 519

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C=CC(=O)O
• Isomeric SMILES: CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)/C=C/C(=O)O

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