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Home > Boronic Acids > 70523-23-8
70523-23-8 | (1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinyl)-boronic acid
CAS No: 70523-23-8 Catalog No: AG005IGH MDL No:
Product Description
Catalog Number:
AG005IGH
Chemical Name:
(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinyl)-boronic acid
CAS Number:
70523-23-8
Molecular Formula:
C4H5BN2O4
Molecular Weight:
155.9045
IUPAC Name:
(2,4-dioxo-1H-pyrimidin-6-yl)boronic acid
InChI:
InChI=1S/C4H5BN2O4/c8-3-1-2(5(10)11)6-4(9)7-3/h1,10-11H,(H2,6,7,8,9)
InChI Key:
AHPVQUJXXSFJHB-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)[nH]c(c1)B(O)O
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.034g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
155.904g/mol
Monoisotopic Mass:
156.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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