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Home > Boronic Acids > 1793003-77-6
1793003-77-6 | 4-[Hydroxy(4-methylphenyl)methyl]phenylboronic acid
CAS No: 1793003-77-6 Catalog No: AG00HZY0 MDL No:MFCD22205754
Product Description
Catalog Number:
AG00HZY0
Chemical Name:
4-[Hydroxy(4-methylphenyl)methyl]phenylboronic acid
CAS Number:
1793003-77-6
Molecular Formula:
C14H15BO3
Molecular Weight:
242.0781
MDL Number:
MFCD22205754
IUPAC Name:
[4-[hydroxy-(4-methylphenyl)methyl]phenyl]boronic acid
InChI:
InChI=1S/C14H15BO3/c1-10-2-4-11(5-3-10)14(16)12-6-8-13(9-7-12)15(17)18/h2-9,14,16-18H,1H3
InChI Key:
VHXKQEWHEHPRKE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(c1ccc(cc1)B(O)O)O
Properties
Complexity:
243
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:
3
Isotope Atom Count:
0
Molecular Weight:
242.081g/mol
Monoisotopic Mass:
242.111g/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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