Cas no 3612-80-4 (3-Pyridinecarboxylicacid, 2-hydroxyethyl ester)

3-Pyridinecarboxylicacid, 2-hydroxyethyl ester structure
3612-80-4 structure
Product Name:3-Pyridinecarboxylicacid, 2-hydroxyethyl ester
CAS No:3612-80-4
MF:C8H9NO3
MW:167.161962270737
MDL:MFCD00870064
CID:309807
PubChem ID:19222
Update Time:2025-04-19

3-Pyridinecarboxylicacid, 2-hydroxyethyl ester Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarboxylicacid, 2-hydroxyethyl ester
    • 2-hydroxyethyl pyridine-3-carboxylate
    • AS-82851
    • Etofibrate 2-hydroxymethylnicotinate
    • 3-Pyridinecarboxylic acid, 2-hydroxyethyl ester
    • E77685
    • BRN 0131597
    • EOHMN
    • NICOTINIC ACID, 2-HYDROXYETHYL ESTER
    • DTXSID50189697
    • 3612-80-4
    • SCHEMBL9717090
    • 2-Hydroxyethyl nicotinate
    • Ethiacin
    • DTXCID10112188
    • 4-22-00-00369 (Beilstein Handbook Reference)
    • MDL: MFCD00870064
    • Inchi: 1S/C8H9NO3/c10-4-5-12-8(11)7-2-1-3-9-6-7/h1-3,6,10H,4-5H2
    • InChI Key: OMMRNSLAFWRKOH-UHFFFAOYSA-N
    • SMILES: O(C(C1C=NC=CC=1)=O)CCO

Computed Properties

  • Exact Mass: 167.05827
  • Monoisotopic Mass: 167.058243149g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 149
  • 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: 0.3
  • Topological Polar Surface Area: 59.4?2

Experimental Properties

  • PSA: 59.42

3-Pyridinecarboxylicacid, 2-hydroxyethyl ester Security Information

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