Cas no 18159-22-3 (1-Benzyl-1H-pyrrole-2-carboxylic Acid)

1-Benzyl-1H-pyrrole-2-carboxylic Acid structure
18159-22-3 structure
Product Name:1-Benzyl-1H-pyrrole-2-carboxylic Acid
CAS No:18159-22-3
MF:C12H11NO2
MW:201.221243143082
MDL:MFCD00894448
CID:1108032
PubChem ID:14985839
Update Time:2025-04-20

1-Benzyl-1H-pyrrole-2-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 1-(phenylmethyl)-1H-Pyrrole-2-carboxylic acid
    • LogP
    • 1-Benzyl-1H-pyrrole-2-carboxylic acid
    • 1-BENZYL-PYRROLE-2-CARBOXYLIC ACID
    • 1-benzylpyrrole-2-carboxylic acid
    • 1H-Pyrrole-2-carboxylic acid, 1-(phenylmethyl)-
    • SY170020
    • CS-0208111
    • CHEMBL3786297
    • DTXSID00566575
    • DB-065370
    • 18159-22-3
    • Z235352163
    • AKOS009153614
    • F8888-4153
    • OGGDCEFWAMGBOB-UHFFFAOYSA-N
    • SB34476
    • EN300-29736
    • N-benzylpyrrole-2-carboxylic acid
    • 1-benzyl-1H-pyrrole-2-carboxylicacid
    • SCHEMBL1607395
    • E78003
    • BS-21787
    • MFCD00894448
    • 1-Benzyl-1H-pyrrole-2-carboxylic Acid
    • MDL： MFCD00894448
    • Inchi： 1S/C12H11NO2/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,15)
    • InChI Key： OGGDCEFWAMGBOB-UHFFFAOYSA-N
    • SMILES： OC(C1=CC=CN1CC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 201.07903
  • Monoisotopic Mass: 201.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 224
  • 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: 2.1
  • Topological Polar Surface Area: 42.2?2

Experimental Properties

  • PSA: 42.23

1-Benzyl-1H-pyrrole-2-carboxylic Acid Pricemore >>

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