Cas no 226930-29-6 (4-(Naphthalen-1-yl)-1h-pyrrole-3-carboxylic acid)

4-(Naphthalen-1-yl)-1h-pyrrole-3-carboxylic acid structure
226930-29-6 structure
Product Name:4-(Naphthalen-1-yl)-1h-pyrrole-3-carboxylic acid
CAS No:226930-29-6
MF:C15H11NO2
MW:237.253343820572
CID:2663358
Update Time:2023-08-06

4-(Naphthalen-1-yl)-1h-pyrrole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-naphthalen-1-yl-1H-pyrrole-3-carboxylic acid
    • 1H-Pyrrole-3-carboxylic acid, 4-(1-naphthalenyl)-
    • 4-(naphthalen-1-yl)-1h-pyrrole-3-carboxylic acid
    • 4-(Naphthalen-1-yl)-1h-pyrrole-3-carboxylic acid
    • Inchi: 1S/C15H11NO2/c17-15(18)14-9-16-8-13(14)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,16H,(H,17,18)
    • InChI Key: JYTYEYUCZPYEFF-UHFFFAOYSA-N
    • SMILES: OC(C1=CNC=C1C1=CC=CC2C=CC=CC1=2)=O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 318
  • Topological Polar Surface Area: 53.1
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