Cas no 90578-39-5 (Benzyl 2,5-dimethoxybenzoate)

Benzyl 2,5-dimethoxybenzoate structure
Benzyl 2,5-dimethoxybenzoate structure
Product Name:Benzyl 2,5-dimethoxybenzoate
CAS No:90578-39-5
MF:C16H16O4
MW:272.295845031738
CID:2812440
PubChem ID:71327489
Update Time:2025-04-21

Benzyl 2,5-dimethoxybenzoate Chemical and Physical Properties

Names and Identifiers

    • 90578-39-5
    • Benzyl 2,5-dimethoxybenzoate
    • DTXSID00756555
    • DTXCID50707299
    • Benzoic acid, 2,5-dimethoxy-, phenylmethyl ester
    • Benzoate, 2,5-dimethoxy-, phenylmethyl ester
    • Benzyl 2,5-dimethoxybenzoic acid
    • Inchi： 1S/C16H16O4/c1-18-13-8-9-15(19-2)14(10-13)16(17)20-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
    • InChI Key： DIYALSWQLNYWNO-UHFFFAOYSA-N
    • SMILES： O(C(C1C=C(C=CC=1OC)OC)=O)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 272.10485899g/mol
  • Monoisotopic Mass: 272.10485899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 6
  • Complexity: 299
  • 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: 3.2
  • Topological Polar Surface Area: 44.8?2

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