Cas no 261951-72-8 (3-Fluoro-4-methylcinnamic acid)

3-Fluoro-4-methylcinnamic acid structure
261951-72-8 structure
Product Name:3-Fluoro-4-methylcinnamic acid
CAS No:261951-72-8
MF:C10H9FO2
MW:180.175666570663
MDL:MFCD01631413
CID:1070240
PubChem ID:5708478
Update Time:2025-04-20

3-Fluoro-4-methylcinnamic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Fluoro-4-methylcinnamic acid
    • (2E)-3-(3-fluoro-4-methylphenyl)prop-2-enoic acid
    • 3-(3-fluoro-4-methylphenyl)acrylic acid
    • 3-(3-fluoro-4-methylphenyl)prop-2-enoic acid
    • 3-fluoro-4-methyl-cinnamic acid
    • 3-fluoro-4-methylcinnammic acid
    • AC1NWMX2
    • JRD-1110
    • PC0366
    • SureCN584806
    • EN300-1453707
    • D83312
    • 261951-72-8
    • 3-(3-fluoro-4-methyl-phenyl)-acrylic acid
    • DTXSID90420758
    • MFCD01631413
    • AKOS009158310
    • 694511-55-2
    • SCHEMBL584806
    • JS-4193
    • BP-20080
    • CS-0161249
    • (E)-3-(3-fluoro-4-methylphenyl)prop-2-enoic acid
    • (E)-3-(3-fluoro-4-methylphenyl)acrylic acid
    • MDL: MFCD01631413
    • Inchi: 1S/C10H9FO2/c1-7-2-3-8(6-9(7)11)4-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-4+
    • InChI Key: DVZABKDWMCAVGE-SNAWJCMRSA-N
    • SMILES: FC1C=C(/C=C/C(=O)O)C=CC=1C

Computed Properties

  • Exact Mass: 180.05867
  • Monoisotopic Mass: 180.05865769g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 213
  • 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: 2.3
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3

3-Fluoro-4-methylcinnamic acid Security Information

  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26-36
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

3-Fluoro-4-methylcinnamic acid Pricemore >>

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