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Home > Boronic Acids > 1111096-29-7
1111096-29-7 | 4-(Methoxycarbonyl)furan-2-boronic acid pinacol ester
CAS No: 1111096-29-7 Catalog No: AG003K8V MDL No:MFCD12407248
Product Description
Catalog Number:
AG003K8V
Chemical Name:
4-(Methoxycarbonyl)furan-2-boronic acid pinacol ester
CAS Number:
1111096-29-7
Molecular Formula:
C12H17BO5
Molecular Weight:
252.0714
MDL Number:
MFCD12407248
IUPAC Name:
methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-carboxylate
InChI:
InChI=1S/C12H17BO5/c1-11(2)12(3,4)18-13(17-11)9-6-8(7-16-9)10(14)15-5/h6-7H,1-5H3
InChI Key:
RAMMMHGDFUIABW-UHFFFAOYSA-N
SMILES:
COC(=O)c1coc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.117g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.073g/mol
Monoisotopic Mass:
252.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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