Cas no 6123-82-6 (3-(5,6-dimethyl-1H-benzimidazol-1-yl)propanoic acid)

3-(5,6-dimethyl-1H-benzimidazol-1-yl)propanoic acid structure
6123-82-6 structure
Product Name:3-(5,6-dimethyl-1H-benzimidazol-1-yl)propanoic acid
CAS No:6123-82-6
MF:C12H14N2O2
MW:218.251762866974
MDL:MFCD02749820
CID:1071736
PubChem ID:861959
Update Time:2025-04-20

3-(5,6-dimethyl-1H-benzimidazol-1-yl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 5,6-dimethyl-1H-Benzimidazole-1-propanoic acid
    • 3-(5,6-dimethyl-1H-benzo[d]imidazol-1-yl)propanoic acid
    • 3-(5,6-DIMETHYL-BENZOIMIDAZOL-1-YL)-PROPIONIC ACID
    • 1-(2-Carboxy-aethyl)-5,6-dimethyl-benzimidazol
    • 3-(5,6-dimethyl-1H-benzimidazol-1-yl)propanoic acid
    • 3-(5,6-dimethylbenzimidazolyl)propanoic acid
    • BBL012299
    • CTK6B6111
    • F1994-0017
    • Oprea1_191724
    • CS-0282069
    • EN300-236381
    • 3-(5,6-dimethyl-1,3-benzodiazol-1-yl)propanoic acid
    • DA-04426
    • 3-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)propanoic acid
    • BRD-K78042786-001-02-0
    • STK666786
    • 6123-82-6
    • 3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid
    • DTXSID101247408
    • AKOS000161588
    • MDL: MFCD02749820
    • Inchi: 1S/C12H14N2O2/c1-8-5-10-11(6-9(8)2)14(7-13-10)4-3-12(15)16/h5-7H,3-4H2,1-2H3,(H,15,16)
    • InChI Key: FJZAJAWTANAPQO-UHFFFAOYSA-N
    • SMILES: OC(CCN1C=NC2C=C(C)C(C)=CC1=2)=O

Computed Properties

  • Exact Mass: 218.105527694g/mol
  • Monoisotopic Mass: 218.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 270
  • 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: 1.6
  • Topological Polar Surface Area: 55.1?2

3-(5,6-dimethyl-1H-benzimidazol-1-yl)propanoic acid Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

3-(5,6-dimethyl-1H-benzimidazol-1-yl)propanoic acid Pricemore >>

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