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Home > Boronic Acids > 1221823-69-3
1221823-69-3 | Boronic acid, B-[4-(hydroxyphenylmethyl)phenyl]-
CAS No: 1221823-69-3 Catalog No: AG0016WE MDL No:MFCD17015768
Product Description
Catalog Number:
AG0016WE
Chemical Name:
Boronic acid, B-[4-(hydroxyphenylmethyl)phenyl]-
CAS Number:
1221823-69-3
Molecular Formula:
C13H13BO3
Molecular Weight:
228.0515
MDL Number:
MFCD17015768
IUPAC Name:
[4-[hydroxy(phenyl)methyl]phenyl]boronic acid
InChI:
InChI=1S/C13H13BO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9,13,15-17H
InChI Key:
KZDVEVNHPYZAEI-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(c1ccccc1)O)O
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
228.054g/mol
Monoisotopic Mass:
228.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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