Cas no 7042-36-6 (2-Propenoic acid, 3-phenyl-, 1,1-dimethylethyl ester, (E)-)

2-Propenoic acid, 3-phenyl-, 1,1-dimethylethyl ester, (E)- structure
7042-36-6 structure
Product Name:2-Propenoic acid, 3-phenyl-, 1,1-dimethylethyl ester, (E)-
CAS No:7042-36-6
MF:C13H16O2
MW:204.264944076538
CID:547271
Update Time:2025-04-19

2-Propenoic acid, 3-phenyl-, 1,1-dimethylethyl ester, (E)- Chemical and Physical Properties

Names and Identifiers

    • 2-Propenoic acid, 3-phenyl-, 1,1-dimethylethyl ester, (E)-
    • 3-PHENYL-ACRYLIC ACID TERT-BUTYL ESTER
    • Inchi: 1S/C13H16O2/c1-13(2,3)15-12(14)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+
    • InChI Key: AGKLVMVJXDFIGC-MDZDMXLPSA-N
    • SMILES: O(C(/C=C/C1C=CC=CC=1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 204.11508
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 229
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing

Experimental Properties

  • Density: 1?g/mL?at 25?°C(lit.)
  • Boiling Point: 85?°C0.12?mm Hg(lit.)
  • Flash Point: 230?°F
  • PSA: 26.3

2-Propenoic acid, 3-phenyl-, 1,1-dimethylethyl ester, (E)- Security Information

  • WGK Germany:3

2-Propenoic acid, 3-phenyl-, 1,1-dimethylethyl ester, (E)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
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