Cas no 6221-06-3 (5-Formyl Nicotinic Acid Methyl Ester)

5-Formyl Nicotinic Acid Methyl Ester structure
6221-06-3 structure
Product Name:5-Formyl Nicotinic Acid Methyl Ester
CAS No:6221-06-3
MF:C8H7NO3
MW:165.146082162857
MDL:MFCD11100668
CID:956312
PubChem ID:19744729
Update Time:2025-04-19

5-Formyl Nicotinic Acid Methyl Ester Chemical and Physical Properties

Names and Identifiers

    • 5-formyl-3-Pyridinecarboxylic acid methyl ester
    • 5-Formyl Nicotinic Acid Methyl Ester
    • 5-FORMYL-NICOTINIC ACID METHYL ESTER
    • methyl 5-formylnicotinate
    • methyl 5-formylpyridine-3-carboxylate
    • DTXSID90599493
    • Z1198311040
    • AS-53254
    • P16250
    • MFCD11100668
    • EN300-332066
    • Methyl5-Formylnicotinate
    • DB-073067
    • CS-0048980
    • SCHEMBL2475641
    • AKOS006307655
    • 6221-06-3
    • VLRLIUOJJSNOCS-UHFFFAOYSA-N
    • SB21411
    • XH0838
    • MDL: MFCD11100668
    • Inchi: 1S/C8H7NO3/c1-12-8(11)7-2-6(5-10)3-9-4-7/h2-5H,1H3
    • InChI Key: VLRLIUOJJSNOCS-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=NC=C(C=O)C=1)=O

Computed Properties

  • Exact Mass: 165.04300
  • Monoisotopic Mass: 165.042593085g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 181
  • 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: 0.2
  • Topological Polar Surface Area: 56.3?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: 85-91°C
  • Boiling Point: 286.1±25.0 °C at 760 mmHg
  • Flash Point: 126.9±23.2 °C
  • Solubility: Chloroform (Slightly), Dichloromethane, Ethyl Acetate (Slightly), Methanol
  • PSA: 56.26000
  • LogP: 0.68070
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

5-Formyl Nicotinic Acid Methyl Ester Security Information

5-Formyl Nicotinic Acid Methyl Ester Pricemore >>

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