Cas no 20116-65-8 ( )

  structure
  structure
Product Name: 
CAS No:20116-65-8
MF:C11H12O4
MW:208.210583686829
MDL:MFCD21337429
CID:909046
PubChem ID:88370
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • dimethyl 4-methylbenzene-1,2-dicarboxylate
    • Dimethyl 4-methyl-1,2-benzenedicarboxylate
    • dimethyl 4-methylphthalate
    • Phthalic acid, 4-methyl-, dimethyl ester
    • 4-Methyl-phthalic acid dimethyl ester
    • NSC 165800
    • F7701V6NN5
    • 20116-65-8
    • 1,2-Benzenedicarboxylic acid, 4-methyl-, dimethyl ester
    • 1,2-Benzenedicarboxylic acid, 4-methyl-, 1,2-dimethyl ester
    • 4-methyl-benzene-1,2-dicarboxylic acid dimethyl ester
    • 4-methylphthalic acid dimethyl ester
    • 1, 4-methyl-, dimethyl ester
    • 4-methyl phthalic acid dimethyl ester
    • Dimethyl 4-methylphthalate #
    • DTXSID3066558
    • Dimethyl4-methylphthalate
    • DB-198033
    • SCHEMBL1206018
    • NSC-165800
    • NS00026524
    • EINECS 243-522-6
    • UNII-F7701V6NN5
    • NSC165800
    •  
    • MDL: MFCD21337429
    • Inchi: 1S/C11H12O4/c1-7-4-5-8(10(12)14-2)9(6-7)11(13)15-3/h4-6H,1-3H3
    • InChI Key: GICLKLDOSTVQQA-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=C(C)C=CC=1C(=O)OC)=O

Computed Properties

  • Exact Mass: 208.07356
  • Monoisotopic Mass: 208.07355886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 249
  • 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: 1.9
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.6
  • LogP: 1.56820

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