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139924-88-2 | 1,3(2H,4H)-Pyrimidinedipropanoic acid, 2,4-dioxo-, 1,3-dimethyl ester
CAS No: 139924-88-2 Catalog No: AG001BTM MDL No:
Product Description
Catalog Number:
AG001BTM
Chemical Name:
1,3(2H,4H)-Pyrimidinedipropanoic acid, 2,4-dioxo-, 1,3-dimethyl ester
CAS Number:
139924-88-2
Molecular Formula:
C12H16N2O6
Molecular Weight:
284.2652
IUPAC Name:
methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4-dioxopyrimidin-1-yl]propanoate
InChI:
InChI=1S/C12H16N2O6/c1-19-10(16)4-7-13-6-3-9(15)14(12(13)18)8-5-11(17)20-2/h3,6H,4-5,7-8H2,1-2H3
InChI Key:
WJQPTLQNNGUYHD-UHFFFAOYSA-N
SMILES:
COC(=O)CCn1ccc(=O)n(c1=O)CCC(=O)OC
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.268g/mol
Monoisotopic Mass:
284.101g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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