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Home > Boronic Acids > 1256346-16-3
1256346-16-3 | Boronic acid, B-[1,2,3,4-tetrahydro-1,3-bis(methoxymethyl)-2,4-dioxo-5-pyrimidinyl]-
CAS No: 1256346-16-3 Catalog No: AG000O1F MDL No:MFCD16295075
Product Description
Catalog Number:
AG000O1F
Chemical Name:
Boronic acid, B-[1,2,3,4-tetrahydro-1,3-bis(methoxymethyl)-2,4-dioxo-5-pyrimidinyl]-
CAS Number:
1256346-16-3
Molecular Formula:
C8H13BN2O6
Molecular Weight:
244.0096
MDL Number:
MFCD16295075
IUPAC Name:
[1,3-bis(methoxymethyl)-2,4-dioxopyrimidin-5-yl]boronic acid
InChI:
InChI=1S/C8H13BN2O6/c1-16-4-10-3-6(9(14)15)7(12)11(5-17-2)8(10)13/h3,14-15H,4-5H2,1-2H3
InChI Key:
VBZNFSMDERGTIM-UHFFFAOYSA-N
SMILES:
COCn1cc(B(O)O)c(=O)n(c1=O)COC
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.01g/mol
Monoisotopic Mass:
244.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
99.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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