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Home > Boronic Acids > 1256358-76-5
1256358-76-5 | 3-(Tetrahydropyran-4-yloxyMethy)phenylboronic acid
CAS No: 1256358-76-5 Catalog No: AG009WVC MDL No:MFCD16198628
Product Description
Catalog Number:
AG009WVC
Chemical Name:
3-(Tetrahydropyran-4-yloxyMethy)phenylboronic acid
CAS Number:
1256358-76-5
Molecular Formula:
C12H17BO4
Molecular Weight:
236.0720
MDL Number:
MFCD16198628
IUPAC Name:
[3-(oxan-4-yloxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C12H17BO4/c14-13(15)11-3-1-2-10(8-11)9-17-12-4-6-16-7-5-12/h1-3,8,12,14-15H,4-7,9H2
InChI Key:
CXCOUBKIJBWKHS-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)COC1CCOCC1)O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.074g/mol
Monoisotopic Mass:
236.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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