2-Cyano-3-(5-nitro-2-thienyl)-2-propenoic acid ethyl ester

Base Information

• Chemical Name: 2-Cyano-3-(5-nitro-2-thienyl)-2-propenoic acid ethyl ester
• CAS No.: 31330-50-4
• Molecular Formula: C10H8 N2 O4 S
• Molecular Weight: 252.2465
• Mol file: 31330-50-4.mol

Synonyms:31330-50-4;2-Cyano-3-(5-nitro-2-thienyl)-2-propenoic acid ethyl ester;Cyto9E2;STK077547;AKOS000486565;CCG-245289;ethyl (2E)-2-cyano-3-(5-nitrothiophen-2-yl)prop-2-enoate

Chemical Property of 2-Cyano-3-(5-nitro-2-thienyl)-2-propenoic acid ethyl ester

Chemical Property:

• Vapor Pressure: 3.26E-07mmHg at 25°C
• Boiling Point: 418.5°Cat760mmHg
• Flash Point: 206.9°C
• Density: 1.417g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 252.02047791
• Heavy Atom Count: 17
• Complexity: 393

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(=CC1=CC=C(S1)[N+](=O)[O-])C#N
• Isomeric SMILES: CCOC(=O)/C(=C/C1=CC=C(S1)[N+](=O)[O-])/C#N

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