Cas no 183172-57-8 (Benzyl 5-formyl-1H-pyrrole-2-carboxylate)

Benzyl 5-formyl-1H-pyrrole-2-carboxylate structure
183172-57-8 structure
Product Name:Benzyl 5-formyl-1H-pyrrole-2-carboxylate
CAS No:183172-57-8
MF:C13H11NO3
MW:229.231343507767
MDL:MFCD00598552
CID:1084312
PubChem ID:71349636
Update Time:2025-04-20

Benzyl 5-formyl-1H-pyrrole-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Benzyl 5-formyl-1H-pyrrole-2-carboxylate
    • 1H-Pyrrole-2-carboxylic acid, 5-forMyl-, phenylMethyl ester
    • A1-12228
    • SB62501
    • WLHDCJQRTCXNRP-UHFFFAOYSA-N
    • DTXSID10775479
    • Z2049889841
    • 183172-57-8
    • SCHEMBL2705192
    • DB-342450
    • Benzyl5-formyl-1H-pyrrole-2-carboxylate
    • 5-formyl-1H-pyrrole-2-carboxylic acid benzyl ester
    • EN300-234715
    • MDL: MFCD00598552
    • Inchi: 1S/C13H11NO3/c15-8-11-6-7-12(14-11)13(16)17-9-10-4-2-1-3-5-10/h1-8,14H,9H2
    • InChI Key: WLHDCJQRTCXNRP-UHFFFAOYSA-N
    • SMILES: O(C(C1=CC=C(C=O)N1)=O)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 229.07389321g/mol
  • Monoisotopic Mass: 229.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 274
  • 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: 2.2
  • Topological Polar Surface Area: 59.2?2

Benzyl 5-formyl-1H-pyrrole-2-carboxylate Security Information

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