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Home > Boronic Acids > 1256346-29-8
1256346-29-8 | Boronic acid, B-[4-(3-methyl-1-oxobutyl)phenyl]-
CAS No: 1256346-29-8 Catalog No: AG000O16 MDL No:MFCD16295077
Product Description
Catalog Number:
AG000O16
Chemical Name:
Boronic acid, B-[4-(3-methyl-1-oxobutyl)phenyl]-
CAS Number:
1256346-29-8
Molecular Formula:
C11H15BO3
Molecular Weight:
206.0460
MDL Number:
MFCD16295077
IUPAC Name:
[4-(3-methylbutanoyl)phenyl]boronic acid
InChI:
InChI=1S/C11H15BO3/c1-8(2)7-11(13)9-3-5-10(6-4-9)12(14)15/h3-6,8,14-15H,7H2,1-2H3
InChI Key:
HFIQYDWQIGRTGC-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)CC(C)C)O
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.048g/mol
Monoisotopic Mass:
206.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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