Cas no 913836-03-0 (5-(dihydroxyboranyl)pyridine-3-carboxylic acid)

5-(dihydroxyboranyl)pyridine-3-carboxylic acid structure
913836-03-0 structure
Product Name:5-(dihydroxyboranyl)pyridine-3-carboxylic acid
CAS No:913836-03-0
MF:C6H6BNO4
MW:166.927141666412
MDL:MFCD02323212
CID:802816
PubChem ID:3560503
Update Time:2024-10-26

5-(dihydroxyboranyl)pyridine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Borononicotinic acid
    • 5-Carboxypyridine-3-boronic acid
    • 3-Pyridinecarboxylicacid, 5-borono- (9CI)
    • 5-(DIHYDROXYBORYL)NICOTINIC ACID
    • 5-boronopyridine-3-carboxylic acid
    • 5-Dihydroxyboronylnicotinic acid
    • 5-(dihydroxyboranyl)pyridine-3-carboxylic acid
    • 5-borono-3-pyridinecarboxylic acid
    • XKDATYTUCBKUQZ-UHFFFAOYSA-N
    • OR6227
    • FCH920875
    • SBB052559
    • TRA0028683
    • AB118
    • 5-Borono-3-pyridinecarboxylic acid (ACI)
    • 5-(Dihydroxyboryl)-3-pyridinecarboxylic acid
    • SCHEMBL789735
    • MFCD02323212
    • AB11841
    • carboxypyridine-3-boronic acid5-boronopyridine-3-carboxylic acid
    • 5-(Dihydroxyboryl)nicotinicacid
    • 913836-03-0
    • DTXSID90393635
    • AC7234
    • AKOS002375066
    • SY030584
    • AS-57704
    • MDL: MFCD02323212
    • Inchi: 1S/C6H6BNO4/c9-6(10)4-1-5(7(11)12)3-8-2-4/h1-3,11-12H,(H,9,10)
    • InChI Key: XKDATYTUCBKUQZ-UHFFFAOYSA-N
    • SMILES: O=C(C1C=C(B(O)O)C=NC=1)O

Computed Properties

  • Exact Mass: 167.03900
  • Monoisotopic Mass: 167.039
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 175
  • 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: 90.6

Experimental Properties

  • Density: 1.5
  • Melting Point: 226-230
  • Boiling Point: 486.3℃ at 760 mmHg
  • Flash Point: 247.9°C
  • Refractive Index: 1.588
  • PSA: 90.65000
  • LogP: -1.54040

5-(dihydroxyboranyl)pyridine-3-carboxylic acid Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi

5-(dihydroxyboranyl)pyridine-3-carboxylic acid Pricemore >>

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