Cas no 878417-05-1 (3,6,7-Trimethyl-1-benzofuran-2-carboxylic acid)

3,6,7-Trimethyl-1-benzofuran-2-carboxylic acid structure
878417-05-1 structure
Product Name:3,6,7-Trimethyl-1-benzofuran-2-carboxylic acid
CAS No:878417-05-1
MF:C12H12O3
MW:204.221883773804
MDL:MFCD06645081
CID:1074017
PubChem ID:6484626
Update Time:2025-04-20

3,6,7-Trimethyl-1-benzofuran-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3,6,7-Trimethyl-benzofuran-2-carboxylic acid
    • 3,6,7-TRIMETHYL-1-BENZOFURAN-2-CARBOXYLIC ACID
    • F2169-0516
    • 878417-05-1
    • DTXSID00424464
    • BDBM50424721
    • EN300-237850
    • CS-0281845
    • 3,6,7-Trimethylbenzofuran-2-carboxylicacid
    • AB01266325-03
    • 3,6,7-Trimethylbenzofuran-2-carboxylic acid
    • CHEMBL2314508
    • AKOS000301965
    • BRD-K77466920-001-01-1
    • NCGC00322626-01
    • DB-356682
    • STK522124
    • 3,6,7-Trimethyl-1-benzofuran-2-carboxylic acid
    • MDL： MFCD06645081
    • Inchi： 1S/C12H12O3/c1-6-4-5-9-8(3)11(12(13)14)15-10(9)7(6)2/h4-5H,1-3H3,(H,13,14)
    • InChI Key： VJKQDNBXKMSKKV-UHFFFAOYSA-N
    • SMILES： O1C(C(=O)O)=C(C)C2C=CC(C)=C(C)C1=2

Computed Properties

  • Exact Mass: 204.078644241g/mol
  • Monoisotopic Mass: 204.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 264
  • 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: 3.3
  • Topological Polar Surface Area: 50.4?2

3,6,7-Trimethyl-1-benzofuran-2-carboxylic acid Security Information

  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT

3,6,7-Trimethyl-1-benzofuran-2-carboxylic acid Pricemore >>

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Enamine
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