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N-(4-methylbenzoyl)-beta-alanine
Weight207.229 g/mol
FormulaC11H13NO3
Hydrogen Acceptors2
Hydrogen Donors2
Aromatic Rings1
Rotatable Bonds4

N-(4-methylbenzoyl)-beta-alanine (446828-78-0)

446828-78-0

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Alternate Names

  • 446828-78-0
  • SMILES
    CC1=CC=C(C=C1)C(=O)NCCC(=O)O
  • InChIKey
    MGMCLJIRNXMSQX-UHFFFAOYSA-N

Estimated Properties

Boiling Point 345.91 C EPA T.E.S.T.
Boiling Point 411.58 C EPI Suite
Density 1.28 g/cm3 EPA T.E.S.T.
Flash Point 208.68 C EPA T.E.S.T.
Melting Point 171.3 C EPI Suite
Water Solubility 4386.53 mg/L EPA T.E.S.T.
Water Solubility 18572 mg/L EPI Suite

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