Cas no 1196146-17-4 (methyl 2-ethynylpyrimidine-5-carboxylate)

methyl 2-ethynylpyrimidine-5-carboxylate structure
1196146-17-4 structure
Product Name:methyl 2-ethynylpyrimidine-5-carboxylate
CAS No:1196146-17-4
MF:C8H6N2O2
MW:162.145441532135
MDL:MFCD13189802
CID:2616375
PubChem ID:72212461
Update Time:2025-04-21

methyl 2-ethynylpyrimidine-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • methyl 2-ethynylpyrimidine-5-carboxylate
    • METHYL2-ETHYNYLPYRIMIDINE-5-CARBOXYLATE
    • 1196146-17-4
    • AB69147
    • P19249
    • MDL: MFCD13189802
    • Inchi: 1S/C8H6N2O2/c1-3-7-9-4-6(5-10-7)8(11)12-2/h1,4-5H,2H3
    • InChI Key: GNNVHANXZCGAJK-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=CN=C(C#C)N=C1)=O

Computed Properties

  • Exact Mass: 162.042927438Da
  • Monoisotopic Mass: 162.042927438Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 210
  • 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: 52.1?2

methyl 2-ethynylpyrimidine-5-carboxylate Pricemore >>

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