Cas no 53700-95-1 (4,5-Dimethyl-1H-pyrrole-2-carbaldehyde)

4,5-Dimethyl-1H-pyrrole-2-carbaldehyde structure
53700-95-1 structure
Product Name:4,5-Dimethyl-1H-pyrrole-2-carbaldehyde
CAS No:53700-95-1
MF:C7H9NO
MW:123.152461767197
MDL:MFCD01461611
CID:356610
PubChem ID:578970
Update Time:2025-04-19

4,5-Dimethyl-1H-pyrrole-2-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4,5-Dimethyl-1H-pyrrole-2-carbaldehyde
    • 1H-Pyrrole-2-carboxaldehyde, 4,5-dimethyl-
    • 4,5-DIMETHYL-1H-PYRROLE-2-CARBOXALDEHYDE
    • 2-Formyl-4,5-dimethyl-pyrrole
    • 2-formyl-4,5-dimethyl-1h-pyrrole
    • 53700-95-1
    • MFCD01461611
    • CS-0331839
    • NCGC00338619-01
    • AB01331627-02
    • Z1255383545
    • AKOS005593666
    • 4,5-Dimethylpyrrole-2-carboxaldehyde
    • SB62623
    • SY284154
    • EN300-6951340
    • 4,5-Dimethyl-1H-pyrrole-2-carbaldehyde #
    • SCHEMBL6015905
    • 4,5-dimethylpyrrole-2-carbaldehyde
    • STK674965
    • DB-305265
    • MDL： MFCD01461611
    • Inchi： 1S/C7H9NO/c1-5-3-7(4-9)8-6(5)2/h3-4,8H,1-2H3
    • InChI Key： SCJGLQUCTCAPAB-UHFFFAOYSA-N
    • SMILES： O=CC1=CC(C)=C(C)N1

Computed Properties

  • Exact Mass: 122.06064
  • Monoisotopic Mass: 123.068413911g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 114
  • 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: 1.3
  • Topological Polar Surface Area: 32.9?2

Experimental Properties

  • PSA: 29.96

4,5-Dimethyl-1H-pyrrole-2-carbaldehyde Pricemore >>

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eNovation Chemicals LLC
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Enamine
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