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Home > Boronic Acids > 1311185-12-2
1311185-12-2 | Boronic acid, B-[3-[(tetrahydro-2H-pyran-2-yl)methoxy]phenyl]-
CAS No: 1311185-12-2 Catalog No: AG000VJ5 MDL No:MFCD12080516
Product Description
Catalog Number:
AG000VJ5
Chemical Name:
Boronic acid, B-[3-[(tetrahydro-2H-pyran-2-yl)methoxy]phenyl]-
CAS Number:
1311185-12-2
Molecular Formula:
C12H17BO4
Molecular Weight:
236.0720
MDL Number:
MFCD12080516
IUPAC Name:
[3-(oxan-2-ylmethoxy)phenyl]boronic acid
InChI:
InChI=1S/C12H17BO4/c14-13(15)10-4-3-6-11(8-10)17-9-12-5-1-2-7-16-12/h3-4,6,8,12,14-15H,1-2,5,7,9H2
InChI Key:
CKNFINMUFQMMLJ-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)OCC1CCCCO1)O
Properties
Complexity:
225
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:
1
Undefined Bond Stereocenter Count:
0
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