Cas no 110795-26-1 ((2E)-3-(2,6-dimethylphenyl)prop-2-enoic acid)

(2E)-3-(2,6-dimethylphenyl)prop-2-enoic acid structure
110795-26-1 structure
Product Name:(2E)-3-(2,6-dimethylphenyl)prop-2-enoic acid
CAS No:110795-26-1
MF:C11H12O2
MW:176.211783409119
CID:1195442
PubChem ID:13720921
Update Time:2025-04-20

(2E)-3-(2,6-dimethylphenyl)prop-2-enoic acid Chemical and Physical Properties

Names and Identifiers

    • (2e)-3-(2,6-dimethylphenyl)acrylic Acid
    • CTK5G8416
    • KB-220596
    • AG-H-72548
    • 2-(2,5-DIMETHOXY-4-METHYLPHENYL)CYCLOBUTANAMINE
    • trans-3-(2,5-dimethoxy-4-methylphenyl)cyclobutylamine
    • 2-(2,5-Dimethoxy-4-methylphenyl)cyclobutylamine
    • 2-Dmpcb
    • AC1L3SSW
    • trans-3-(2,6-dimethylphenyl)-propenoic acid
    • CTK5G8416; KB-220596; AG-H-72548; 2-(2,5-DIMETHOXY-4-METHYLPHENYL)CYCLOBUTANAMINE; trans-3-(2,5-dimethoxy-4-methylphenyl)cyclobutylamine; 2-(2,5-Dimethoxy-4-methylphenyl)cyclobutylamine; 2-Dmpcb; AC1L3SSW; trans-3-(2,6-dimethylphenyl)-propenoic acid;
    • (2E)-3-(2,6-dimethylphenyl)prop-2-enoic acid
    • SCHEMBL2059378
    • (E)-3-(2,6-Dimethylphenyl)acrylic acid
    • 3-(2,6-Dimethylphenyl)acrylic acid
    • SCHEMBL2059374
    • 2,6-DIMETHYLCINNAMIC ACID
    • CS-0356329
    • 110795-26-1
    • (E)-3-(2,6-dimethylphenyl)prop-2-enoic acid
    • EN300-1839825
    • AKOS006277210
    • 2-Propenoic acid, 3-(2,6-dimethylphenyl)-, (2E)-
    • 3-(2,6-dimethylphenyl)prop-2-enoic acid
    • EN300-1453711
    • MDL: MFCD03002840
    • Inchi: 1S/C11H12O2/c1-8-4-3-5-9(2)10(8)6-7-11(12)13/h3-7H,1-2H3,(H,12,13)/b7-6+
    • InChI Key: PSYYWEOURRGKCD-VOTSOKGWSA-N
    • SMILES: OC(/C=C/C1C(C)=CC=CC=1C)=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: 2
  • Complexity: 198
  • 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: 2.6
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3

(2E)-3-(2,6-dimethylphenyl)prop-2-enoic acid Pricemore >>

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