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Home > Boronic Acids > 1029439-94-8
1029439-94-8 | [3-(2-phenylethoxy)phenyl]boronic acid
CAS No: 1029439-94-8 Catalog No: AG01AHNI MDL No:MFCD11540660
Product Description
Catalog Number:
AG01AHNI
Chemical Name:
[3-(2-phenylethoxy)phenyl]boronic acid
CAS Number:
1029439-94-8
Molecular Formula:
C14H15BO3
Molecular Weight:
242.0781
MDL Number:
MFCD11540660
IUPAC Name:
[3-(2-phenylethoxy)phenyl]boronic acid
InChI:
InChI=1S/C14H15BO3/c16-15(17)13-7-4-8-14(11-13)18-10-9-12-5-2-1-3-6-12/h1-8,11,16-17H,9-10H2
InChI Key:
ZAAIGKIEQCTAJN-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)OCCc1ccccc1)O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.081g/mol
Monoisotopic Mass:
242.111g/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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