Cas no 911312-76-0 (4-ethoxycarbonyl-3-methoxyphenylboronic acid)

4-ethoxycarbonyl-3-methoxyphenylboronic acid structure
911312-76-0 structure
Product Name:4-ethoxycarbonyl-3-methoxyphenylboronic acid
CAS No:911312-76-0
MF:C10H13BO5
MW:224.018223524094
MDL:MFCD08274475
CID:828487
PubChem ID:46736812
Update Time:2024-10-26

4-ethoxycarbonyl-3-methoxyphenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • (4-(Ethoxycarbonyl)-3-methoxyphenyl)boronic acid
    • (4-ethoxycarbonyl-3-methoxyphenyl)boronic acid
    • 4-ETHOXYCARBONYL-3-METHOXYPHENYLBORONIC ACID
    • (4-(Ethoxycarbonyl)-3-methoxyphenyl)boronicacid
    • [4-(Ethoxycarbonyl)-3-methoxyphenyl]boronic acid
    • MFCD08274475
    • SCHEMBL5058938
    • 4-(ethoxycarbonyl)-3-methoxyphenylboronic acid
    • D71307
    • CS-0190061
    • 911312-76-0
    • KJSHXBOKHSXLJP-UHFFFAOYSA-N
    • DTXSID90673888
    • AKOS015838795
    • 4-ethoxycarbonyl-3-methoxyphenylboronic acid
    • MDL： MFCD08274475
    • Inchi： 1S/C10H13BO5/c1-3-16-10(12)8-5-4-7(11(13)14)6-9(8)15-2/h4-6,13-14H,3H2,1-2H3
    • InChI Key： KJSHXBOKHSXLJP-UHFFFAOYSA-N
    • SMILES： O=C(C1C(OC)=CC(B(O)O)=CC=1)OCC

Computed Properties

  • Exact Mass: 224.08600
  • Monoisotopic Mass: 224.0856037g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 233
  • 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: 76?2

Experimental Properties

  • PSA: 75.99000
  • LogP: -0.44830

4-ethoxycarbonyl-3-methoxyphenylboronic acid Security Information

  • HazardClass：IRRITANT

4-ethoxycarbonyl-3-methoxyphenylboronic acid Pricemore >>

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4-ethoxycarbonyl-3-methoxyphenylboronic acid Production Method

4-ethoxycarbonyl-3-methoxyphenylboronic acid Related Literature

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