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Tetraacetoxy diboroxane

CAT: 0926-FAA18737Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-FAA18737Size:1 g
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CAS Number
5187-37-1
MDL Number
MFCD00015631
Smiles
B (OB (OC (=O) C) OC (=O) C) (OC (=O) C) OC (=O) C
Molecular Formula
C8H12B2O9
Molecular Weight
273.8 g/mol
Controlled
No

Chemical Information

Tetraacetyl diborate
CAS Number5187-37-1
PubChem CID5326258
IUPAC Name[acetyloxy(diacetyloxyboranyloxy)boranyl] acetate
Molecular FormulaC8H12B2O9
Molecular Weight273.8
Topological Polar Surface Area114
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count19
Formal Charge0
Complexity303
SMILES
B(OB(OC(=O)C)OC(=O)C)(OC(=O)C)OC(=O)C
InChI
InChI=1S/C8H12B2O9/c1-5(11)15-9(16-6(2)12)19-10(17-7(3)13)18-8(4)14/h1-4H3
InChIKey
ZMJHYNIVOZEJTJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tetraacetyl diborate
CAS: 5187-37-1
CID: 5326258
Formula: C8H12B2O9
MW: 273.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass274.0667423
Monoisotopic Mass274.0667423
Topological Polar Surface Area114 Ų
Heavy Atom Count19
Formal Charge0
Complexity303
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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