Cas no 1309981-44-9 ((4-(Methoxycarbonyl)pyridin-3-yl)boronic acid)

(4-(Methoxycarbonyl)pyridin-3-yl)boronic acid structure
1309981-44-9 structure
Product Name:(4-(Methoxycarbonyl)pyridin-3-yl)boronic acid
CAS No:1309981-44-9
MF:C7H8BNO4
MW:180.953722000122
MDL:MFCD08704676
CID:1035460
PubChem ID:53398524
Update Time:2025-04-20

(4-(Methoxycarbonyl)pyridin-3-yl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (4-(Methoxycarbonyl)pyridin-3-yl)boronic acid
    • (4-methoxycarbonylpyridin-3-yl)boronic acid
    • 4-Methoxycarbonylpyridine-3-boronic acid
    • DS-016839
    • 1309981-44-9
    • [4-(Methoxycarbonyl)pyridin-3-yl]boronic acid
    • (4-(Methoxycarbonyl)pyridin-3-yl)boronicacid
    • AKOS006291287
    • SCHEMBL516524
    • DTXSID20694480
    • EN300-2550046
    • MDL: MFCD08704676
    • Inchi: 1S/C7H8BNO4/c1-13-7(10)5-2-3-9-4-6(5)8(11)12/h2-4,11-12H,1H3
    • InChI Key: JXUFTTGMXYTBLS-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=CN=CC=1B(O)O)=O

Computed Properties

  • Exact Mass: 181.05500
  • Monoisotopic Mass: 181.0546379g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 187
  • 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
  • Topological Polar Surface Area: 79.6?2

Experimental Properties

  • PSA: 79.65000
  • LogP: -1.45200

(4-(Methoxycarbonyl)pyridin-3-yl)boronic acid Pricemore >>

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