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Home > Boronic Acids > 1287777-05-2
1287777-05-2 | Boronic acid, B-[3-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-
CAS No: 1287777-05-2 Catalog No: AG000YDG MDL No:MFCD03425971
Product Description
Catalog Number:
AG000YDG
Chemical Name:
Boronic acid, B-[3-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-
CAS Number:
1287777-05-2
Molecular Formula:
C11H15BO4
Molecular Weight:
222.0454
MDL Number:
MFCD03425971
IUPAC Name:
[3-(oxan-2-yloxy)phenyl]boronic acid
InChI:
InChI=1S/C11H15BO4/c13-12(14)9-4-3-5-10(8-9)16-11-6-1-2-7-15-11/h3-5,8,11,13-14H,1-2,6-7H2
InChI Key:
GPYBHNZRMWCEAW-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)OC1CCCCO1)O
Properties
Complexity:
212
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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