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Home > Boronic Acids > 1313761-97-5
1313761-97-5 | Boronic acid, B-[4-[(tetrahydro-2H-pyran-2-yl)methoxy]phenyl]-
CAS No: 1313761-97-5 Catalog No: AG000W1L MDL No:MFCD12080515
Product Description
Catalog Number:
AG000W1L
Chemical Name:
Boronic acid, B-[4-[(tetrahydro-2H-pyran-2-yl)methoxy]phenyl]-
CAS Number:
1313761-97-5
Molecular Formula:
C12H17BO4
Molecular Weight:
236.0720
MDL Number:
MFCD12080515
IUPAC Name:
[4-(oxan-2-ylmethoxy)phenyl]boronic acid
InChI:
InChI=1S/C12H17BO4/c14-13(15)10-4-6-11(7-5-10)17-9-12-3-1-2-8-16-12/h4-7,12,14-15H,1-3,8-9H2
InChI Key:
ANXSFTGOFNZCEF-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)OCC1CCCCO1)O
Properties
Complexity:
217
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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