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Home > Boronic Acids > 1350513-12-0
1350513-12-0 | {3-[(oxolan-3-yloxy)methyl]phenyl}boronic acid
CAS No: 1350513-12-0 Catalog No: AG01BA4K MDL No:MFCD18365206
Product Description
Catalog Number:
AG01BA4K
Chemical Name:
{3-[(oxolan-3-yloxy)methyl]phenyl}boronic acid
CAS Number:
1350513-12-0
Molecular Formula:
C11H15BO4
Molecular Weight:
222.0454
MDL Number:
MFCD18365206
IUPAC Name:
[3-(oxolan-3-yloxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C11H15BO4/c13-12(14)10-3-1-2-9(6-10)7-16-11-4-5-15-8-11/h1-3,6,11,13-14H,4-5,7-8H2
InChI Key:
WLAWVOZSYDZOQC-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)COC1COCC1)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:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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