Cas no 191668-22-1 (1H-Pyrrole-3-carboxylicacid, 4-(4-methylphenyl)-)

1H-Pyrrole-3-carboxylicacid, 4-(4-methylphenyl)- structure
191668-22-1 structure
Product Name:1H-Pyrrole-3-carboxylicacid, 4-(4-methylphenyl)-
CAS No:191668-22-1
MF:C12H11NO2
MW:201.221243143082
MDL:MFCD08751331
CID:116061
PubChem ID:10679566
Update Time:2025-04-18

1H-Pyrrole-3-carboxylicacid, 4-(4-methylphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrole-3-carboxylicacid, 4-(4-methylphenyl)-
    • 4-(4-METHYLPHENYL)-1H-PYRROLE-3-CARBOXYLIC ACID
    • 1H-Pyrrole-3-carboxylicacid,4-(4-methylphenyl)
    • 4-(4-methylphenyl)pyrrole-3-carboxylic acid
    • DTXSID00443392
    • MFCD08751331
    • 4-(4-METHYLPHENYL)-1H-PYRROLE-3-CARBOXYLICACID
    • 191668-22-1
    • 4-(p-Tolyl)-1H-pyrrole-3-carboxylic acid
    • 4-p-Tolyl-1H-pyrrole-3-carboxylic acid
    • TS-02860
    • AKOS000368883
    • 4-(p-Tolyl)-1H-pyrrole-3-carboxylicacid
    • SB63409
    • CS-0324079
    • G74751
    • MDL: MFCD08751331
    • Inchi: 1S/C12H11NO2/c1-8-2-4-9(5-3-8)10-6-13-7-11(10)12(14)15/h2-7,13H,1H3,(H,14,15)
    • InChI Key: ZAJLJBWVJBNSMR-UHFFFAOYSA-N
    • SMILES: OC(C1=CNC=C1C1C=CC(C)=CC=1)=O

Computed Properties

  • Exact Mass: 201.07900
  • Monoisotopic Mass: 201.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 234
  • 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
  • Topological Polar Surface Area: 53.1?2
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 2.2

Experimental Properties

  • PSA: 53.09000
  • LogP: 2.68830

1H-Pyrrole-3-carboxylicacid, 4-(4-methylphenyl)- Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1H-Pyrrole-3-carboxylicacid, 4-(4-methylphenyl)- Pricemore >>

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