Cas no 55000-49-2 (2,5-Dimethylbenzyl 2,5-dimethylbenzoate)

2,5-Dimethylbenzyl 2,5-dimethylbenzoate structure
55000-49-2 structure
Product Name:2,5-Dimethylbenzyl 2,5-dimethylbenzoate
CAS No:55000-49-2
MF:C18H20O2
MW:268.350205421448
CID:2185721
Update Time:2023-08-05

2,5-Dimethylbenzyl 2,5-dimethylbenzoate Chemical and Physical Properties

Names and Identifiers

    • 2,5-Dimethylbenzoic acid (2,5-dimethylphenyl)methyl ester
    • 2,5-Dimethylbenzyl 2,5-dimethylbenzoate
    • VDHISGZEOYKRAR-UHFFFAOYSA-N
    • Benzoic acid, 2,5-dimethyl-, (2,5-dimethylphenyl)methyl ester
    • 2,5-Dimethylbenzyl 2,5-dimethylbenzoate #
    • Inchi: 1S/C18H20O2/c1-12-5-7-14(3)16(9-12)11-20-18(19)17-10-13(2)6-8-15(17)4/h5-10H,11H2,1-4H3
    • InChI Key: VDHISGZEOYKRAR-UHFFFAOYSA-N
    • SMILES: O(C(C1C=C(C)C=CC=1C)=O)CC1C=C(C)C=CC=1C

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 325
  • Topological Polar Surface Area: 26.3
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