Cas no 31775-70-9 (Benzeneacetic acid,2-methyl-, phenylmethyl ester)

Benzeneacetic acid,2-methyl-, phenylmethyl ester structure
31775-70-9 structure
Product Name:Benzeneacetic acid,2-methyl-, phenylmethyl ester
CAS No:31775-70-9
MF:C16H16O2
MW:240.297044754028
CID:316618
PubChem ID:249275
Update Time:2025-04-19

Benzeneacetic acid,2-methyl-, phenylmethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid,2-methyl-, phenylmethyl ester
    • (pyridin-2-yl)(o-tolyl)methanone
    • [2]pyridyl-o-tolyl ketone
    • [2]Pyridyl-o-tolyl-keton
    • 2-(2-Methylbenzoyl)-pyridine
    • 2-(2-METHYLBENZOYL)PYRIDINE
    • AC1L3MMO
    • AG-F-89417
    • benzyl 2-(o-tolyl)acetate
    • CTK5A1430
    • Methanone, (2-methylphenyl)-2-pyridinyl-
    • o-tolyl-2-pyridylmethanone
    • o-tolyl-acetic acid benzyl ester
    • o-Tolyl-essigsaeure-benzylester
    • pyridin-2-yl-o-tolyl-methanone
    • 31775-70-9
    • SCHEMBL10716907
    • Benzyl (2-methylphenyl)acetate
    • DTXSID90953713
    • NCIOpen2_003367
    • NSC-67369
    • NSC67369
    • Inchi： 1S/C16H16O2/c1-13-7-5-6-10-15(13)11-16(17)18-12-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3
    • InChI Key： VTPRGJRKNWJCQP-UHFFFAOYSA-N
    • SMILES： O(CC1C=CC=CC=1)C(CC1C=CC=CC=1C)=O

Computed Properties

  • Exact Mass: 240.11508
  • Monoisotopic Mass: 240.11503
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 256
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.8
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Density: 1.096
  • Boiling Point: 354.3°Cat760mmHg
  • Flash Point: 142.2°C
  • Refractive Index: 1.566
  • PSA: 26.3
  • LogP: 3.28090

Benzeneacetic acid,2-methyl-, phenylmethyl ester Related Literature

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