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Home > Boronic Acids > 1217501-15-9
1217501-15-9 | Boronic acid, B-[3,5-dimethyl-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl]-
CAS No: 1217501-15-9 Catalog No: AG0015SN MDL No:MFCD12913940
Product Description
Catalog Number:
AG0015SN
Chemical Name:
Boronic acid, B-[3,5-dimethyl-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl]-
CAS Number:
1217501-15-9
Molecular Formula:
C10H17BN2O3
Molecular Weight:
224.0646
MDL Number:
MFCD12913940
IUPAC Name:
[3,5-dimethyl-1-(oxan-2-yl)pyrazol-4-yl]boronic acid
InChI:
InChI=1S/C10H17BN2O3/c1-7-10(11(14)15)8(2)13(12-7)9-5-3-4-6-16-9/h9,14-15H,3-6H2,1-2H3
InChI Key:
YOFFBMDCMBAWSH-UHFFFAOYSA-N
SMILES:
OB(c1c(C)nn(c1C)C1CCCCO1)O
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.133g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.067g/mol
Monoisotopic Mass:
224.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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