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Home > Boronic Acids > 1313034-25-1
1313034-25-1 | 9-azabicyclo[3.3.1]non-2-ene-9-carboxylicacid,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,1,1-dimethylethylester
CAS No: 1313034-25-1 Catalog No: AG00HSF7 MDL No:MFCD23703549
Product Description
Catalog Number:
AG00HSF7
Chemical Name:
9-azabicyclo[3.3.1]non-2-ene-9-carboxylicacid,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,1,1-dimethylethylester
CAS Number:
1313034-25-1
Molecular Formula:
C19H32BNO4
Molecular Weight:
349.2727
MDL Number:
MFCD23703549
IUPAC Name:
tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
InChI:
InChI=1S/C19H32BNO4/c1-17(2,3)23-16(22)21-14-9-8-10-15(21)12-13(11-14)20-24-18(4,5)19(6,7)25-20/h11,14-15H,8-10,12H2,1-7H3
InChI Key:
RSGQFHBJPKBGTP-UHFFFAOYSA-N
SMILES:
O=C(N1C2CCCC1C=C(C2)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.242g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.278g/mol
Monoisotopic Mass:
349.242g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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