Home Boronic acids (2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid

(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid

CAS No.:
70523-22-7
Catalog Number:
AG003BKZ
Molecular Formula:
C4H5BN2O4
Molecular Weight:
155.9045
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Product Description
Catalog Number:
AG003BKZ
Chemical Name:
(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid
CAS Number:
70523-22-7
Molecular Formula:
C4H5BN2O4
Molecular Weight:
155.9045
MDL Number:
MFCD01318983
IUPAC Name:
(2,4-dioxo-1H-pyrimidin-5-yl)boronic acid
InChI:
InChI=1S/C4H5BN2O4/c8-3-2(5(10)11)1-6-4(9)7-3/h1,10-11H,(H2,6,7,8,9)
InChI Key:
PVEJOCQTIVCDNO-UHFFFAOYSA-N
SMILES:
OB(c1c[nH]c(=O)[nH]c1=O)O
NSC Number:
82645
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
Properties