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1758-93-6 | [5,5'-Bipyrimidine]-2,2',4,4'(1H,1'H,3H,3'H)-tetrone
CAS No: 1758-93-6 Catalog No: AG00217C MDL No:
Product Description
Catalog Number:
AG00217C
Chemical Name:
[5,5'-Bipyrimidine]-2,2',4,4'(1H,1'H,3H,3'H)-tetrone
CAS Number:
1758-93-6
Molecular Formula:
C8H6N4O4
Molecular Weight:
222.1576
IUPAC Name:
5-(2,4-dioxo-1H-pyrimidin-5-yl)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C8H6N4O4/c13-5-3(1-9-7(15)11-5)4-2-10-8(16)12-6(4)14/h1-2H,(H2,9,11,13,15)(H2,10,12,14,16)
InChI Key:
CICTZEZHJHQMBT-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)[nH]cc1c1c[nH]c(=O)[nH]c1=O
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.039g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
222.16g/mol
Monoisotopic Mass:
222.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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