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Home > Boronic Acids > 1217501-14-8
1217501-14-8 | Boronic acid, B-(3-butoxy-4-methoxyphenyl)-
CAS No: 1217501-14-8 Catalog No: AG0015SO MDL No:MFCD13195649
Product Description
Catalog Number:
AG0015SO
Chemical Name:
Boronic acid, B-(3-butoxy-4-methoxyphenyl)-
CAS Number:
1217501-14-8
Molecular Formula:
C11H17BO4
Molecular Weight:
224.0613
MDL Number:
MFCD13195649
IUPAC Name:
(3-butoxy-4-methoxyphenyl)boronic acid
InChI:
InChI=1S/C11H17BO4/c1-3-4-7-16-11-8-9(12(13)14)5-6-10(11)15-2/h5-6,8,13-14H,3-4,7H2,1-2H3
InChI Key:
XNODJZHDEFRIGZ-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(ccc1OC)B(O)O
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.063g/mol
Monoisotopic Mass:
224.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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