Cas no 4551-62-6 (Benzoic-4-d acid)

Benzoic-4-d acid structure
Benzoic-4-d acid structure
Product Name:Benzoic-4-d acid
CAS No:4551-62-6
MF:C7H6O2
MW:123.127503871918
CID:325576
PubChem ID:11170963
Update Time:2025-04-19

Benzoic-4-d acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic-4-d acid
    • BENZOIC-4-D1 ACID
    • 4-d1-benzoic acid
    • 4-deuterio-benzoic acid
    • CTK0E9469
    • Decylphosphonsaeure-dichlorid
    • methyl 4-deuterobenzoate
    • n-decylphosphonic acid dichloride
    • P-decylphosphonyl chloride
    • p-deuteriobenzoic acid
    • p-deuterobenzoic acid
    • Phosphonic dichloride, decyl-
    • 4551-62-6
    • SCHEMBL14867821
    • (4-?H)benzoic acid
    • AKOS024429021
    • Inchi: 1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1D
    • InChI Key: WPYMKLBDIGXBTP-MICDWDOJSA-N
    • SMILES: OC(C1C=CC([2H])=CC=1)=O

Computed Properties

  • Exact Mass: 123.043
  • Monoisotopic Mass: 123.043
  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 104
  • 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: 37.3A^2

Benzoic-4-d acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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