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Home > Boronic Acids > 168097-36-7
168097-36-7 | Boronic acid, B-[3-(2-phenylethenyl)phenyl]-
CAS No: 168097-36-7 Catalog No: AG001XT2 MDL No:
Product Description
Catalog Number:
AG001XT2
Chemical Name:
Boronic acid, B-[3-(2-phenylethenyl)phenyl]-
CAS Number:
168097-36-7
Molecular Formula:
C14H13BO2
Molecular Weight:
224.0628
IUPAC Name:
[3-(2-phenylethenyl)phenyl]boronic acid
InChI:
InChI=1S/C14H13BO2/c16-15(17)14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-11,16-17H
InChI Key:
CKNBLPIHHCGEEJ-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)C=Cc1ccccc1)O
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.066g/mol
Monoisotopic Mass:
224.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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