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Home > Boronic Acids > 1146614-50-7
1146614-50-7 | (1-(2-methoxy-2-oxoethyl)-1H-pyrazol-4-yl)boronic acid
CAS No: 1146614-50-7 Catalog No: AG01DI1F MDL No:MFCD28009361
Product Description
Catalog Number:
AG01DI1F
Chemical Name:
(1-(2-methoxy-2-oxoethyl)-1H-pyrazol-4-yl)boronic acid
CAS Number:
1146614-50-7
Molecular Formula:
C6H9BN2O4
Molecular Weight:
183.9577
MDL Number:
MFCD28009361
IUPAC Name:
[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]boronic acid
InChI:
InChI=1S/C6H9BN2O4/c1-13-6(10)4-9-3-5(2-8-9)7(11)12/h2-3,11-12H,4H2,1H3
InChI Key:
FMZIGVJKMUFZCK-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1ncc(c1)B(O)O
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.066g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.958g/mol
Monoisotopic Mass:
184.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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