4160-92-3 | 3-Methyl-3-phenylpentanedioic acid

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Description

• Catalog Number: AG14207
• Chemical Name: 3-Methyl-3-phenylpentanedioic acid
• CAS Number: 4160-92-3
• Molecular Formula: C12H14O4
• Molecular Weight: 222.2372
• MDL Number: MFCD00020491
• SMILES: OC(=O)CC(c1ccccc1)(CC(=O)O)C
• NSC Number: 51135

Computed Properties

• Complexity: 250
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 5
• XLogP3: 1.5

Literature

• SAR and X-ray. A new approach combining fragment-based screening and rational drug design: application to the discovery of nanomolar inhibitors of Src SH2.

  Journal of medicinal chemistry 20020606