Cas no 101952-65-2 (3-Pyridinecarboxylicacid, 3-hydroxypropyl ester)

3-Pyridinecarboxylicacid, 3-hydroxypropyl ester structure
101952-65-2 structure
Product Name:3-Pyridinecarboxylicacid, 3-hydroxypropyl ester
CAS No:101952-65-2
MF:C9H11NO3
MW:181.188542604446
MDL:MFCD00870065
CID:193800
PubChem ID:59176
Update Time:2025-04-19

3-Pyridinecarboxylicacid, 3-hydroxypropyl ester Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarboxylicacid, 3-hydroxypropyl ester
    • 3-hydroxypropyl pyridine-3-carboxylate
    • 3-HYDROXYPROPYLNICOTINATE
    • NICOTINIC ACID,3-HYDROXYPROPYL ESTER
    • AKOS006273162
    • 3-Pyridinecarboxylic acid, 3-hydroxypropyl ester
    • 101952-65-2
    • SCHEMBL7285060
    • NICOTINIC ACID, 3-HYDROXYPROPYL ESTER
    • F86971
    • BRN 0143338
    • 3-Hydroxypropyl nicotinate
    • DTXSID40144417
    • MDL： MFCD00870065
    • Inchi： 1S/C9H11NO3/c11-5-2-6-13-9(12)8-3-1-4-10-7-8/h1,3-4,7,11H,2,5-6H2
    • InChI Key： OVVPXBCSMMGCTP-UHFFFAOYSA-N
    • SMILES： O(C(C1C=NC=CC=1)=O)CCCO

Computed Properties

  • Exact Mass: 181.07400
  • Monoisotopic Mass: 181.073893
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 161
  • 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: 0.7
  • Topological Polar Surface Area: 59.4

Experimental Properties

  • Density: 1.199
  • Boiling Point: 325.3°Cat760mmHg
  • Flash Point: 150.5°C
  • Refractive Index: 1.533
  • PSA: 59.42000
  • LogP: 0.62080

3-Pyridinecarboxylicacid, 3-hydroxypropyl ester Pricemore >>

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