Cas no 1104070-92-9 (5-Phthalazinecarboxylic acid methyl ester)

5-Phthalazinecarboxylic acid methyl ester structure
1104070-92-9 structure
Product Name:5-Phthalazinecarboxylic acid methyl ester
CAS No:1104070-92-9
MF:C10H8N2O2
MW:188.182722091675
MDL:MFCD28664932
CID:1098831
PubChem ID:57991940
Update Time:2025-04-20

5-Phthalazinecarboxylic acid methyl ester Chemical and Physical Properties

Names and Identifiers

    • 5-Phthalazinecarboxylic acid methyl ester
    • SCHEMBL1595439
    • methyl phthalazine-5-carboxylate
    • JFVIENFPCDLIKI-UHFFFAOYSA-N
    • methylphthalazine-5-carboxylate
    • 1104070-92-9
    • A927845
    • MDL: MFCD28664932
    • Inchi: 1S/C10H8N2O2/c1-14-10(13)8-4-2-3-7-5-11-12-6-9(7)8/h2-6H,1H3
    • InChI Key: JFVIENFPCDLIKI-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=CC=CC2=CN=NC=C21)=O

Computed Properties

  • Exact Mass: 188.058577502g/mol
  • Monoisotopic Mass: 188.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 220
  • 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: 0.9
  • Topological Polar Surface Area: 52.1?2

5-Phthalazinecarboxylic acid methyl ester Pricemore >>

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