Cas no 74920-45-9 (benzoic acid-ring-ul-14c)

benzoic acid-ring-ul-14c structure
benzoic acid-ring-ul-14c structure
Product Name:benzoic acid-ring-ul-14c
CAS No:74920-45-9
MF:C7H6O2
MW:134.076590061188
CID:980560
PubChem ID:11768623
Update Time:2025-04-19

benzoic acid-ring-ul-14c Chemical and Physical Properties

Names and Identifiers

    • benzoic acid-ring-ul-14c
    • AKOS015888842
    • DTXSID10472032
    • (1,2,3,4,5,6-14C6)cyclohexatrienecarboxylic acid
    • 74920-45-9
    • Inchi: 1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1+2,2+2,3+2,4+2,5+2,6+2
    • InChI Key: WPYMKLBDIGXBTP-YROCTSJKSA-N
    • SMILES: OC([14C]1[14CH]=[14CH][14CH]=[14CH][14CH]=1)=O

Computed Properties

  • Exact Mass: 134.0562314g/mol
  • Monoisotopic Mass: 134.0562314g/mol
  • Isotope Atom Count: 6
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 37.3?2

benzoic acid-ring-ul-14c Security Information

  • Hazardous Material transportation number:UN 2910 7
  • WGK Germany:3
  • Hazard Category Code: 20/21/22-42/43-11
  • Safety Instruction: 26-36-16
  • Hazardous Material Identification: Xn R F
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