Cas no 585524-77-2 (Benzoic acid, 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, methyl ester)

Benzoic acid, 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, methyl ester structure
585524-77-2 structure
Product Name:Benzoic acid, 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, methyl ester
CAS No:585524-77-2
MF:C13H17BO4
MW:248.082684278488
CID:1611057
PubChem ID:85857587
Update Time:2025-04-21

Benzoic acid, 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, methyl ester
    • MFCD32670192
    • 585524-77-2
    • methyl 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate
    • starbld0034716
    • F72315
    • Inchi： 1S/C13H17BO4/c1-13(2)8-17-14(18-9-13)11-6-4-5-10(7-11)12(15)16-3/h4-7H,8-9H2,1-3H3
    • InChI Key： PHKPMLLLOVGICM-UHFFFAOYSA-N
    • SMILES： O1B(C2C=CC=C(C(=O)OC)C=2)OCC(C)(C)C1

Computed Properties

  • Exact Mass: 247.12561
  • Monoisotopic Mass: 248.1219892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 295
  • 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: 44.8?2

Experimental Properties

  • PSA: 44.76

Benzoic acid, 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, methyl ester Pricemore >>

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abcr
AB593668-250mg
Methyl 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate; .
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AB593668-1g
Methyl 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate; .
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1g
 €181.80 2025-04-17
abcr
AB593668-5g
Methyl 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate; .
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Benzoic acid, 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, methyl ester Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:585524-77-2)Benzoic acid, 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, methyl ester
Order Number:A1221747
Stock Status:in Stock
Quantity:5g/25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 19:12
Price ($):211/739

Benzoic acid, 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, methyl ester Related Literature

585524-77-2 (Benzoic acid, 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, methyl ester) Related Products

Recommended suppliers
Amadis Chemical Company Limited
(CAS:585524-77-2)Benzoic acid, 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, methyl ester
A1221747
Purity:99%/99%
Quantity:5g/25g
Price ($):211/739
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