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Home > Boronic Acids > 1256345-80-8
1256345-80-8 | Boronic acid, B-(3-butoxy-5-methylphenyl)-
CAS No: 1256345-80-8 Catalog No: AG000O0Z MDL No:MFCD16295056
Product Description
Catalog Number:
AG000O0Z
Chemical Name:
Boronic acid, B-(3-butoxy-5-methylphenyl)-
CAS Number:
1256345-80-8
Molecular Formula:
C11H17BO3
Molecular Weight:
208.0619
MDL Number:
MFCD16295056
IUPAC Name:
(3-butoxy-5-methylphenyl)boronic acid
InChI:
InChI=1S/C11H17BO3/c1-3-4-5-15-11-7-9(2)6-10(8-11)12(13)14/h6-8,13-14H,3-5H2,1-2H3
InChI Key:
VTFQPBYXHPOAHC-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(C)cc(c1)B(O)O
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.064g/mol
Monoisotopic Mass:
208.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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