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Home > Boronic Acids > 870778-89-5
870778-89-5 | (2,4-Dibutoxyphenyl)boronic acid
CAS No: 870778-89-5 Catalog No: AG003BKU MDL No:MFCD07784348
Product Description
Catalog Number:
AG003BKU
Chemical Name:
(2,4-Dibutoxyphenyl)boronic acid
CAS Number:
870778-89-5
Molecular Formula:
C14H23BO4
Molecular Weight:
266.1410
MDL Number:
MFCD07784348
IUPAC Name:
(2,4-dibutoxyphenyl)boronic acid
InChI:
InChI=1S/C14H23BO4/c1-3-5-9-18-12-7-8-13(15(16)17)14(11-12)19-10-6-4-2/h7-8,11,16-17H,3-6,9-10H2,1-2H3
InChI Key:
RZGMDQYKUFKOMM-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(c(c1)OCCCC)B(O)O
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.169g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.144g/mol
Monoisotopic Mass:
266.169g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| 2,4-Dibutoxy-phenyl-boronic acid. | Acta crystallographica. Section E, Structure reports online 20090701 |
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