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Home > Boronic Acids > 400089-54-5
400089-54-5 | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyran-2-one
CAS No: 400089-54-5 Catalog No: AG01DK8X MDL No:MFCD22189464
Product Description
Catalog Number:
AG01DK8X
Chemical Name:
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyran-2-one
CAS Number:
400089-54-5
Molecular Formula:
C11H15BO4
Molecular Weight:
222.0454
MDL Number:
MFCD22189464
IUPAC Name:
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyran-2-one
InChI:
InChI=1S/C11H15BO4/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8/h5-7H,1-4H3
InChI Key:
TXWQDSGRWRSQFH-UHFFFAOYSA-N
SMILES:
O=c1ccc(co1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.047g/mol
Monoisotopic Mass:
222.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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