Cas no 110501-70-7 (2,4-Pentadienoic acid,5-(3,4-dihydroxyphenyl)-)

2,4-Pentadienoic acid,5-(3,4-dihydroxyphenyl)- structure
110501-70-7 structure
Product Name:2,4-Pentadienoic acid,5-(3,4-dihydroxyphenyl)-
CAS No:110501-70-7
MF:C11H10O4
MW:206.194703578949
MDL:MFCD18812335
CID:128833
PubChem ID:19888955
Update Time:2025-04-18

2,4-Pentadienoic acid,5-(3,4-dihydroxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 2,4-Pentadienoic acid,5-(3,4-dihydroxyphenyl)-
    • 2,4-Pentadienoic acid, 5-(3,4-dihydroxyphenyl)- (9CI)
    • UNII-5F380S5YI8
    • 2,4-Pentadienoic acid, 5-(3,4-dihydroxyphenyl)-, (2E,4E)-
    • 1073666-65-5
    • (2E,4E)-5-(3,4-Dihydroxyphenyl)-2,4-pentadienoic acid
    • 5-(3,4-DIHYDROXYPHENYL)PENTA-2,4-DIENOIC ACID
    • demethylenated piperic acid
    • (2E,4E)-5-(3,4-dihydroxyphenyl)penta-2,4-dienoic acid
    • 110501-70-7
    • 5F380S5YI8
    • SCHEMBL9654233
    • CHEMBL507378
    • 3'-Hydroxyavenalumic acid
    • MDL: MFCD18812335
    • Inchi: 1S/C11H10O4/c12-9-6-5-8(7-10(9)13)3-1-2-4-11(14)15/h1-7,12-13H,(H,14,15)/b3-1+,4-2+
    • InChI Key: QJTJIOCQLSVOMY-ZPUQHVIOSA-N
    • SMILES: OC1=C(C=CC(/C=C/C=C/C(=O)O)=C1)O

Computed Properties

  • Exact Mass: 206.0579
  • Monoisotopic Mass: 206.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 270
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 77.8A^2

Experimental Properties

  • PSA: 77.76

2,4-Pentadienoic acid,5-(3,4-dihydroxyphenyl)- Pricemore >>

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