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Home > Boronic Acids > 1312712-22-3
1312712-22-3 | 1-Pyrrolidinecarboxylic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS No: 1312712-22-3 Catalog No: AG000VU9 MDL No:MFCD12032619
Product Description
Catalog Number:
AG000VU9
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS Number:
1312712-22-3
Molecular Formula:
C15H28BNO4
Molecular Weight:
297.1981
MDL Number:
MFCD12032619
IUPAC Name:
tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C15H28BNO4/c1-13(2,3)19-12(18)17-9-8-11(10-17)16-20-14(4,5)15(6,7)21-16/h11H,8-10H2,1-7H3
InChI Key:
YADHEMOTVPFRIU-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.211g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.202g/mol
Monoisotopic Mass:
297.211g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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