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Home > Boronic Acids > 182281-01-2
182281-01-2 | Boronic acid, B-[4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-
CAS No: 182281-01-2 Catalog No: AG0023JU MDL No:MFCD02183525
Product Description
Catalog Number:
AG0023JU
Chemical Name:
Boronic acid, B-[4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-
CAS Number:
182281-01-2
Molecular Formula:
C11H15BO4
Molecular Weight:
222.0454
MDL Number:
MFCD02183525
IUPAC Name:
[4-(oxan-2-yloxy)phenyl]boronic acid
InChI:
InChI=1S/C11H15BO4/c13-12(14)9-4-6-10(7-5-9)16-11-3-1-2-8-15-11/h4-7,11,13-14H,1-3,8H2
InChI Key:
DMGMCZRNMYQQQB-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)OC1CCCCO1)O
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.047g/mol
Monoisotopic Mass:
222.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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