Cas no 58085-30-6 (2-Propenoic acid, 2-methyl-3-phenyl-, 2-methyl-2-propenyl ester)

2-Propenoic acid, 2-methyl-3-phenyl-, 2-methyl-2-propenyl ester structure
58085-30-6 structure
Product Name:2-Propenoic acid, 2-methyl-3-phenyl-, 2-methyl-2-propenyl ester
CAS No:58085-30-6
MF:C14H16O2
MW:216.275644302368
CID:343151
PubChem ID:71443790
Update Time:2025-04-19

2-Propenoic acid, 2-methyl-3-phenyl-, 2-methyl-2-propenyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Propenoic acid, 2-methyl-3-phenyl-, 2-methyl-2-propenyl ester
    • 2-methylprop-2-enyl 2-methyl-3-phenylprop-2-enoate
    • 2-Methylprop-2-en-1-yl 2-methyl-3-phenylprop-2-enoate
    • 58085-30-6
    • DTXSID30852599
    • Inchi: 1S/C14H16O2/c1-11(2)10-16-14(15)12(3)9-13-7-5-4-6-8-13/h4-9H,1,10H2,2-3H3
    • InChI Key: QUUKFFZMPSJWGL-UHFFFAOYSA-N
    • SMILES: O(C(C(C)=CC1C=CC=CC=1)=O)CC(=C)C

Computed Properties

  • Exact Mass: 216.11508
  • Monoisotopic Mass: 216.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 283
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 3.8
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

2-Propenoic acid, 2-methyl-3-phenyl-, 2-methyl-2-propenyl ester Related Literature

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