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Home > Boronic Acids > 219488-99-0
219488-99-0 | 3-Methyl-2-buten-2-ylboronic acid pinacol ester
CAS No: 219488-99-0 Catalog No: AG00BH6H MDL No:MFCD29052262
Product Description
Catalog Number:
AG00BH6H
Chemical Name:
3-Methyl-2-buten-2-ylboronic acid pinacol ester
CAS Number:
219488-99-0
Molecular Formula:
C11H21BO2
Molecular Weight:
196.0942
MDL Number:
MFCD29052262
IUPAC Name:
4,4,5,5-tetramethyl-2-(3-methylbut-2-en-2-yl)-1,3,2-dioxaborolane
InChI:
InChI=1S/C11H21BO2/c1-8(2)9(3)12-13-10(4,5)11(6,7)14-12/h1-7H3
InChI Key:
LMHXDKYPKRJWKS-UHFFFAOYSA-N
SMILES:
CC(=C(B1OC(C(O1)(C)C)(C)C)C)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.163g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.097g/mol
Monoisotopic Mass:
196.163g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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