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Home > Boronic Acids > 845551-41-9
845551-41-9 | (4-Butoxy-3,5-dimethylphenyl)boronic acid
CAS No: 845551-41-9 Catalog No: AG003BV1 MDL No:MFCD05865176
Product Description
Catalog Number:
AG003BV1
Chemical Name:
(4-Butoxy-3,5-dimethylphenyl)boronic acid
CAS Number:
845551-41-9
Molecular Formula:
C12H19BO3
Molecular Weight:
222.0885
MDL Number:
MFCD05865176
IUPAC Name:
(4-butoxy-3,5-dimethylphenyl)boronic acid
InChI:
InChI=1S/C12H19BO3/c1-4-5-6-16-12-9(2)7-11(13(14)15)8-10(12)3/h7-8,14-15H,4-6H2,1-3H3
InChI Key:
NOVHHUSAJRKJRC-UHFFFAOYSA-N
SMILES:
CCCCOc1c(C)cc(cc1C)B(O)O
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.143g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.091g/mol
Monoisotopic Mass:
222.143g/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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