Cas no 1246820-92-7 (Propyl-d7 Paraben)

Propyl-d7 Paraben structure
Propyl-d7 Paraben structure
Product Name:Propyl-d7 Paraben
CAS No:1246820-92-7
MF:C10H12O3
MW:187.243615150452
CID:1058206
PubChem ID:71751855
Update Time:2025-04-20

Propyl-d7 Paraben Chemical and Physical Properties

Names and Identifiers

    • n-Propyl 4-hydroxybenzoate-propyl d7
    • Propyl-d7 Paraben
    • 1,1,2,2,3,3,3-heptadeuteriopropyl 4-hydroxybenzoate
    • Propylparaben-d7
    • (1,1,2,2,3,3,3-?H?)propyl 4-hydroxybenzoate
    • HY-N2026S
    • 4-Hydroxybenzoic acid-propyl ester D7 (propyl D7)
    • 1246820-92-7
    • 4-Hydroxybenzoic Acid Propyl-d7 Ester
    • CS-0129208
    • Inchi: 1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3/i1D3,2D2,7D2
    • InChI Key: QELSKZZBTMNZEB-OEPSAGCASA-N
    • SMILES: O(C(C1C=CC(=CC=1)O)=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

Computed Properties

  • Exact Mass: 187.122581462g/mol
  • Monoisotopic Mass: 187.122581462g/mol
  • Isotope Atom Count: 7
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 160
  • 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
  • Topological Polar Surface Area: 46.5?2

Propyl-d7 Paraben Pricemore >>

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