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Home > Boronic Acids > 91129-69-0
91129-69-0 | 2-Butoxyphenylboronic acid
CAS No: 91129-69-0 Catalog No: AG003GTL MDL No:MFCD03427052
Product Description
Catalog Number:
AG003GTL
Chemical Name:
2-Butoxyphenylboronic acid
CAS Number:
91129-69-0
Molecular Formula:
C10H15BO3
Molecular Weight:
194.0353
MDL Number:
MFCD03427052
IUPAC Name:
(2-butoxyphenyl)boronic acid
InChI:
InChI=1S/C10H15BO3/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h4-7,12-13H,2-3,8H2,1H3
InChI Key:
NNZPYUBZXKOFHS-UHFFFAOYSA-N
SMILES:
CCCCOc1ccccc1B(O)O
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.037g/mol
Monoisotopic Mass:
194.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| (2-Butoxy-phen-yl)boronic acid. | Acta crystallographica. Section E, Structure reports online 20080201 |
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