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Home > Boronic Acids > 1256355-31-3
1256355-31-3 | Boronic acid, B-[4-methyl-3-(phenylmethoxy)phenyl]-
CAS No: 1256355-31-3 Catalog No: AG000O3D MDL No:MFCD11617255
Product Description
Catalog Number:
AG000O3D
Chemical Name:
Boronic acid, B-[4-methyl-3-(phenylmethoxy)phenyl]-
CAS Number:
1256355-31-3
Molecular Formula:
C14H15BO3
Molecular Weight:
242.0781
MDL Number:
MFCD11617255
IUPAC Name:
(4-methyl-3-phenylmethoxyphenyl)boronic acid
InChI:
InChI=1S/C14H15BO3/c1-11-7-8-13(15(16)17)9-14(11)18-10-12-5-3-2-4-6-12/h2-9,16-17H,10H2,1H3
InChI Key:
NJDWFMZIGIGFTM-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)OCc1ccccc1)C)O
Properties
Complexity:
241
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:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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