Cas no 620-78-0 ((2E)-2-(phenylmethylidene)butanoic acid)

(2E)-2-(Phenylmethylidene)butanoic acid is an α,β-unsaturated carboxylic acid featuring a conjugated system between the phenyl group and the carboxylic acid functionality. This structural motif imparts reactivity suitable for applications in organic synthesis, particularly as a Michael acceptor or intermediate in the preparation of heterocycles and fine chemicals. The compound’s conjugated double bond enhances its utility in cycloaddition reactions and nucleophilic additions. Its crystalline solid form at room temperature facilitates handling and storage. The phenyl substituent contributes to stability while allowing further functionalization, making it a versatile building block in pharmaceutical and agrochemical research. Purity and consistent composition are critical for reproducible results in synthetic workflows.
(2E)-2-(phenylmethylidene)butanoic acid structure
620-78-0 structure
Product Name:(2E)-2-(phenylmethylidene)butanoic acid
CAS No:620-78-0
MF:C11H12O2
MW:176.211783409119
MDL:MFCD00136914
CID:956109
PubChem ID:5462624
Update Time:2025-05-27

(2E)-2-(phenylmethylidene)butanoic acid Chemical and Physical Properties

Names and Identifiers

    • (2Z)-2-(phenylmethylidene)butanoic acid
    • (2Z)-2-benzylidenebutanoic acid
    • Butanoic acid, 2-(phenylMethylene)-
    • 2-Aethyl-3-phenyl-acrylsaeure
    • 2-ethyl-3-phenyl-acrylic acid
    • AC1NS7GO
    • ethyl 3phenylpropenoic acid
    • ethyl 3-phenylpropenoic acid
    • NSC36176
    • SureCN2918640
    • NS-01472
    • EN300-391563
    • 2-benzylidenebutanoic acid
    • MFCD00136914
    • (2E)-2-benzylidenebutanoic acid
    • G57832
    • (2E)-2-(phenylmethylidene)butanoic acid
    • (e)-2-benzylidenebutanoic acid
    • (2E)-2-ethyl-3-phenyl-2-propenoic acid
    • 620-78-0
    • CS-0450488
    • AKOS006274150
    • 26197-64-8
    • (2E)-2-(phenylmethylidene)butanoicacid
    • 2-ethyl-3-phenylacrylic acid
    • AS-871/43475214
    • BBA19764
    • MDL: MFCD00136914
    • Inchi: 1S/C11H12O2/c1-2-10(11(12)13)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,12,13)/b10-8+
    • InChI Key: RUETZBUVTWCCIZ-CSKARUKUSA-N
    • SMILES: OC(/C(=C/C1C=CC=CC=1)/CC)=O

Computed Properties

  • Exact Mass: 176.08376
  • Monoisotopic Mass: 176.083729621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 200
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3
  • LogP: 2.56460

(2E)-2-(phenylmethylidene)butanoic acid Pricemore >>

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