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Home > Boronic Acids > 1313034-29-5
1313034-29-5 | 7-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-3-oxa-9-aza-bicyclo[3.3.1]non-6-ene-9-carboxylic acid tert-butyl ester
CAS No: 1313034-29-5 Catalog No: AG019GDY MDL No:MFCD23703625
Product Description
Catalog Number:
AG019GDY
Chemical Name:
7-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-3-oxa-9-aza-bicyclo[3.3.1]non-6-ene-9-carboxylic acid tert-butyl ester
CAS Number:
1313034-29-5
Molecular Formula:
C18H30BNO5
Molecular Weight:
351.2455
MDL Number:
MFCD23703625
IUPAC Name:
tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene-9-carboxylate
InChI:
InChI=1S/C18H30BNO5/c1-16(2,3)23-15(21)20-13-8-12(9-14(20)11-22-10-13)19-24-17(4,5)18(6,7)25-19/h8,13-14H,9-11H2,1-7H3
InChI Key:
CVULVIWSNJBKAM-UHFFFAOYSA-N
SMILES:
O=C(N1C2COCC1C=C(C2)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.222g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.25g/mol
Monoisotopic Mass:
351.222g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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