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Home > Boronic Acids > 279261-92-6
279261-92-6 | Boronic acid, [4-[(tetrahydro-2H-pyran-4-yl)oxy]phenyl]-
CAS No: 279261-92-6 Catalog No: AG00I58Y MDL No:MFCD19611589
Product Description
Catalog Number:
AG00I58Y
Chemical Name:
Boronic acid, [4-[(tetrahydro-2H-pyran-4-yl)oxy]phenyl]-
CAS Number:
279261-92-6
Molecular Formula:
C11H15BO4
Molecular Weight:
222.0454
MDL Number:
MFCD19611589
IUPAC Name:
[4-(oxan-4-yloxy)phenyl]boronic acid
InChI:
InChI=1S/C11H15BO4/c13-12(14)9-1-3-10(4-2-9)16-11-5-7-15-8-6-11/h1-4,11,13-14H,5-8H2
InChI Key:
REFMZRSECYWYKZ-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)OC1CCOCC1)O
Properties
Complexity:
198
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:
0
Undefined Bond Stereocenter Count:
0
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