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Home > Boronic Acids > 223418-73-3
223418-73-3 | (1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl);boronic acid
CAS No: 223418-73-3 Catalog No: AG003BEQ MDL No:MFCD03425960
Product Description
Catalog Number:
AG003BEQ
Chemical Name:
(1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl);boronic acid
CAS Number:
223418-73-3
Molecular Formula:
C6H9BN2O4
Molecular Weight:
183.9577
MDL Number:
MFCD03425960
IUPAC Name:
(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)boronic acid
InChI:
InChI=1S/C6H9BN2O4/c1-8-3-4(7(12)13)5(10)9(2)6(8)11/h3,12-13H,1-2H3
InChI Key:
YTOIPKGEWGCXCG-UHFFFAOYSA-N
SMILES:
OB(c1cn(C)c(=O)n(c1=O)C)O
Properties
Complexity:
288
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:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.958g/mol
Monoisotopic Mass:
184.066g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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