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Home > Boronic Acids > 916890-60-3
916890-60-3 | 1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-3-ylboronic acid
CAS No: 916890-60-3 Catalog No: AG00H0YJ MDL No:MFCD08667856
Product Description
Catalog Number:
AG00H0YJ
Chemical Name:
1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-3-ylboronic acid
CAS Number:
916890-60-3
Molecular Formula:
C8H13BN2O3
Molecular Weight:
196.0114
MDL Number:
MFCD08667856
IUPAC Name:
[1-(oxan-2-yl)pyrazol-3-yl]boronic acid
InChI:
InChI=1S/C8H13BN2O3/c12-9(13)7-4-5-11(10-7)8-3-1-2-6-14-8/h4-5,8,12-13H,1-3,6H2
InChI Key:
SNNIMJJQYZQRCA-UHFFFAOYSA-N
SMILES:
OB(c1ccn(n1)C1CCCCO1)O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.102g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.013g/mol
Monoisotopic Mass:
196.102g/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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