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Home > Boronic Acids > 1106677-24-0
1106677-24-0 | 4-Hexanoylphenylboronic acid
CAS No: 1106677-24-0 Catalog No: AG003LGX MDL No:MFCD08701782
Product Description
Catalog Number:
AG003LGX
Chemical Name:
4-Hexanoylphenylboronic acid
CAS Number:
1106677-24-0
Molecular Formula:
C12H17BO3
Molecular Weight:
220.0726
MDL Number:
MFCD08701782
IUPAC Name:
(4-hexanoylphenyl)boronic acid
InChI:
InChI=1S/C12H17BO3/c1-2-3-4-5-12(14)10-6-8-11(9-7-10)13(15)16/h6-9,15-16H,2-5H2,1H3
InChI Key:
MDARDEFCXPDTJR-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.127g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.075g/mol
Monoisotopic Mass:
220.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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