Cas no 215588-66-2 (3-oxo-3-(pyridin-2-yl)propanal)

3-oxo-3-(pyridin-2-yl)propanal structure
215588-66-2 structure
Product Name:3-oxo-3-(pyridin-2-yl)propanal
CAS No:215588-66-2
MF:C8H7NO2
MW:149.146682024002
CID:243146
PubChem ID:22486385
Update Time:2024-01-26

3-oxo-3-(pyridin-2-yl)propanal Chemical and Physical Properties

Names and Identifiers

    • 2-Pyridinepropanal, b-oxo-
    • 2-Pyridinepropanal,beta-oxo-(9CI)
    • 3-oxo-3-(pyridin-2-yl)propanal
    • 2-Pyridinepropanal, β-oxo-
    • Inchi： 1S/C8H7NO2/c10-6-4-8(11)7-3-1-2-5-9-7/h1-3,5-6H,4H2
    • InChI Key： GEBRBSFLVJNCLU-UHFFFAOYSA-N
    • SMILES： C(=O)CC(=O)C1=NC=CC=C1

Computed Properties

  • Exact Mass: 149.048
  • Monoisotopic Mass: 149.048
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 156
  • 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: 0.5
  • Topological Polar Surface Area: 47A^2

Experimental Properties

  • Density: 1.165±0.06 g/cm3(Predicted)
  • Boiling Point: 273.0±20.0 °C(Predicted)
  • pka: 2.46±0.23(Predicted)

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-1125445-0.05g
3-oxo-3-(pyridin-2-yl)propanal
 215588-66-2 95%
0.05g
 $468.0 2023-10-26
Enamine
EN300-1125445-0.1g
3-oxo-3-(pyridin-2-yl)propanal
 215588-66-2 95%
0.1g
 $490.0 2023-10-26
Enamine
EN300-1125445-0.25g
3-oxo-3-(pyridin-2-yl)propanal
 215588-66-2 95%
0.25g
 $513.0 2023-10-26
Enamine
EN300-1125445-0.5g
3-oxo-3-(pyridin-2-yl)propanal
 215588-66-2 95%
0.5g
 $535.0 2023-10-26
Enamine
EN300-1125445-1.0g
3-oxo-3-(pyridin-2-yl)propanal
 215588-66-2
1g
 $785.0 2023-06-09
Enamine
EN300-1125445-2.5g
3-oxo-3-(pyridin-2-yl)propanal
 215588-66-2 95%
2.5g
 $1089.0 2023-10-26
Enamine
EN300-1125445-5.0g
3-oxo-3-(pyridin-2-yl)propanal
 215588-66-2
5g
 $2277.0 2023-06-09
Enamine
EN300-1125445-10.0g
3-oxo-3-(pyridin-2-yl)propanal
 215588-66-2
10g
 $3376.0 2023-06-09
Enamine
EN300-1125445-1g
3-oxo-3-(pyridin-2-yl)propanal
 215588-66-2 95%
1g
 $557.0 2023-10-26
Enamine
EN300-1125445-5g
3-oxo-3-(pyridin-2-yl)propanal
 215588-66-2 95%
5g
 $1614.0 2023-10-26

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