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Home > Boronic Acids > 874290-64-9
874290-64-9 | (4-(5-Oxopyrazolidin-3-yl)phenyl)boronic acid
CAS No: 874290-64-9 Catalog No: AG008DGI MDL No:MFCD08235074
Product Description
Catalog Number:
AG008DGI
Chemical Name:
(4-(5-Oxopyrazolidin-3-yl)phenyl)boronic acid
CAS Number:
874290-64-9
Molecular Formula:
C9H11BN2O3
Molecular Weight:
206.0062
MDL Number:
MFCD08235074
IUPAC Name:
[4-(5-oxopyrazolidin-3-yl)phenyl]boronic acid
InChI:
InChI=1S/C9H11BN2O3/c13-9-5-8(11-12-9)6-1-3-7(4-2-6)10(14)15/h1-4,8,11,14-15H,5H2,(H,12,13)
InChI Key:
INZPXASHKGKJCN-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C1NNC(=O)C1)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:
206.086g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
206.008g/mol
Monoisotopic Mass:
206.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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