Cas no 1219802-40-0 (Benzyl salicylate-d)

Benzyl salicylate-d structure
Benzyl salicylate-d structure
Product Name:Benzyl salicylate-d
CAS No:1219802-40-0
MF:C14H12O3
MW:232.267930984497
CID:1058383
Update Time:2023-11-20

Benzyl salicylate-d Chemical and Physical Properties

Names and Identifiers

    • Benzyl 2-hydroxybenzoate-3,4,5,6-d4
    • Benzyl Salicylate-d4
    • Benzyl 2-hydroxybenzoate-3,4,5,6-d4neat
    • CID 131667619
    • Benzyl salicylate-d
    • Inchi: 1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2/i4D,5D,8D,9D
    • InChI Key: ZCTQGTTXIYCGGC-DOGSKSIHSA-N
    • SMILES: O(C(C1C([2H])=C([2H])C([2H])=C([2H])C=1O)=O)CC1C=CC=CC=1

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 246
  • XLogP3: 3.2
  • Topological Polar Surface Area: 46.5

Experimental Properties

  • Melting Point: N/A
  • Solubility: Chloroform (Slightly), Methanol (Slightly)

Benzyl salicylate-d Security Information

  • Storage Condition:Refrigerator

Benzyl salicylate-d Pricemore >>

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