Cas no 110577-67-8 (Benzenepropanoic acid, a-(1,1-dimethylethyl)-, (-)-)

Benzenepropanoic acid, a-(1,1-dimethylethyl)-, (-)- structure
110577-67-8 structure
Product Name:Benzenepropanoic acid, a-(1,1-dimethylethyl)-, (-)-
CAS No:110577-67-8
MF:C13H18O2
MW:206.280824184418
CID:207939
PubChem ID:184254
Update Time:2025-04-19

Benzenepropanoic acid, a-(1,1-dimethylethyl)-, (-)- Chemical and Physical Properties

Names and Identifiers

    • Benzenepropanoic acid, a-(1,1-dimethylethyl)-, (-)-
    • .alpha.-(tert-Butyl)hydrocinnamic acid
    • 2-Benzyl-3,3-dimethyl-butyric acid
    • CCG-239708
    • 110577-67-8
    • Maybridge3_002890
    • 3,3-Dimethyl-2-(phenylmethyl)butanoic acid
    • HMS1439D08
    • ALPHA-(TERT-BUTYL)HYDROCINNAMICACID
    • AKOS015894321
    • 53483-12-8
    • FT-0765543
    • 2-Benzyl-3,3-dimethylbutanoic acid
    • Benzenepropanoic acid, .alpha.-(1,1-dimethylethyl)-
    • alpha -(tert-Butyl)hydrocinnamic acid
    • DTXSID70911770
    • alpha-(tert-Butyl)hydrocinnamic acid
    • alpha-benzyl-tert-butylacetic acid
    • IDI1_014277
    • SCHEMBL66965
    • alpha-(tert-Butyl)hydrocinnamic acid, 97%
    • 2-Benzyl-3,3-dimethylbutanoic acid #
    • Benzenepropanoic acid, alpha-(1,1-dimethylethyl)-, (-)-
    • Inchi： 1S/C13H18O2/c1-13(2,3)11(12(14)15)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,14,15)
    • InChI Key： UKWWMMXKMDNJEM-UHFFFAOYSA-N
    • SMILES： OC(C(CC1C=CC=CC=1)C(C)(C)C)=O

Computed Properties

  • Exact Mass: 206.13074
  • Monoisotopic Mass: 206.13068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 209
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 37.3
  • XLogP3: 3.4

Experimental Properties

  • Density: 1.032
  • Boiling Point: 321.4°Cat760mmHg
  • Flash Point: 210.9°C
  • PSA: 37.3

Benzenepropanoic acid, a-(1,1-dimethylethyl)-, (-)- Related Literature

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