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Home > Boronic Acids > 55429-03-3
55429-03-3 | 2-Butyl-6-hydroxy-3a,7-bis(3-methyl-2-butenyl)-5-(3-methylbutyryl)-1,3,2-benzodioxaborol-4(3aH)-one
CAS No: 55429-03-3 Catalog No: AG00DS9O MDL No:
Product Description
Catalog Number:
AG00DS9O
Chemical Name:
2-Butyl-6-hydroxy-3a,7-bis(3-methyl-2-butenyl)-5-(3-methylbutyryl)-1,3,2-benzodioxaborol-4(3aH)-one
CAS Number:
55429-03-3
IUPAC Name:
2-butyl-6-hydroxy-5-(3-methylbutanoyl)-3a,7-bis(3-methylbut-2-enyl)-1,3,2-benzodioxaborol-4-one
InChI:
InChI=1S/C25H37BO5/c1-8-9-14-26-30-24-19(11-10-16(2)3)22(28)21(20(27)15-18(6)7)23(29)25(24,31-26)13-12-17(4)5/h10,12,18,28H,8-9,11,13-15H2,1-7H3
InChI Key:
BCKQIMTVMSCGNO-UHFFFAOYSA-N
Properties
Complexity:
838
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.273g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
428.376g/mol
Monoisotopic Mass:
428.273g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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