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Home > Boronic Acids > 146449-90-3
146449-90-3 | Boronic acid, B-[4-(pentyloxy)phenyl]-
CAS No: 146449-90-3 Catalog No: AG001E1N MDL No:MFCD04039035
Product Description
Catalog Number:
AG001E1N
Chemical Name:
Boronic acid, B-[4-(pentyloxy)phenyl]-
CAS Number:
146449-90-3
Molecular Formula:
C11H17BO3
Molecular Weight:
208.0619
MDL Number:
MFCD04039035
IUPAC Name:
(4-pentoxyphenyl)boronic acid
InChI:
InChI=1S/C11H17BO3/c1-2-3-4-9-15-11-7-5-10(6-8-11)12(13)14/h5-8,13-14H,2-4,9H2,1H3
InChI Key:
WHFKSJLAGACWMF-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1)B(O)O
Properties
Complexity:
156
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:
6
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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