Cas no 73052-17-2 (2-Propenoic acid,3-(2,6,6-trimethyl-2-cyclohexen-1-yl)-)

2-Propenoic acid,3-(2,6,6-trimethyl-2-cyclohexen-1-yl)- structure
73052-17-2 structure
Product Name:2-Propenoic acid,3-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
CAS No:73052-17-2
MF:C12H18O2
MW:194.270123958588
CID:575121
PubChem ID:5383965
Update Time:2025-04-19

2-Propenoic acid,3-(2,6,6-trimethyl-2-cyclohexen-1-yl)- Chemical and Physical Properties

Names and Identifiers

    • 2-Propenoic acid,3-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
    • (E)-3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-enoic acid
    • 3-(2,6,6-trimethyl-cyclohex-2-enyl)-acrylic acid
    • 3-(2,6,6-Trimethyl-cyclohex-2-enyl)-acrylsaeure
    • 3-< 2,4,4,-Trimethyl-cyclohexen-(1)-yl-(3)> -acrylsaeure
    • AC1NTMBM
    • Cyclocitrylidenessigsaeure
    • NSC202766
    • SureCN954794
    • SCHEMBL954794
    • 73052-17-2
    • DTXSID10419467
    • SCHEMBL954796
    • NSC-202766
    • Inchi: 1S/C12H18O2/c1-9-5-4-8-12(2,3)10(9)6-7-11(13)14/h5-7,10H,4,8H2,1-3H3,(H,13,14)/b7-6+
    • InChI Key: MBPJEWGHOUWRLB-VOTSOKGWSA-N
    • SMILES: OC(/C=C/C1C(C)=CCCC1(C)C)=O

Computed Properties

  • Exact Mass: 194.13074
  • Monoisotopic Mass: 194.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 285
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.04
  • Boiling Point: 302.8°C at 760 mmHg
  • Flash Point: 208.2°C
  • Refractive Index: 1.54
  • PSA: 37.3
  • LogP: 3.00970
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