51485-76-8 | (2E)-3-(1-Methyl-1h-pyrrol-2-yl)acrylic acid

Availability
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Description

• Catalog Number: AG32843
• Chemical Name: (2E)-3-(1-Methyl-1h-pyrrol-2-yl)acrylic acid
• CAS Number: 51485-76-8
• Molecular Formula: C8H9NO2
• Molecular Weight: 151.1626
• MDL Number: MFCD06205254
• SMILES: OC(=O)/C=C/c1cccn1C

Computed Properties

• Complexity: 177
• Covalently-Bonded Unit Count: 1
• Defined Bond Stereocenter Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 0.7

Literature

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101