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88280-81-3 | 4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo-, octyl ester
CAS No: 88280-81-3 Catalog No: AG0049KI MDL No:
Product Description
Catalog Number:
AG0049KI
Chemical Name:
4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo-, octyl ester
CAS Number:
88280-81-3
Molecular Formula:
C13H20N2O4
Molecular Weight:
268.3089
IUPAC Name:
octyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
InChI:
InChI=1S/C13H20N2O4/c1-2-3-4-5-6-7-8-19-12(17)10-9-11(16)15-13(18)14-10/h9H,2-8H2,1H3,(H2,14,15,16,18)
InChI Key:
JVCVWBZTXWYZSC-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)c1cc(=O)[nH]c(=O)[nH]1
EC Number:
289-399-2
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.313g/mol
Monoisotopic Mass:
268.142g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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