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1260543-99-4 | 2-Pyrimidineacetic acid, 1,6-dihydro-4-(4-morpholinyl)-6-oxo-, ethyl ester
CAS No: 1260543-99-4 Catalog No: AG000QUX MDL No:MFCD26744377
Product Description
Catalog Number:
AG000QUX
Chemical Name:
2-Pyrimidineacetic acid, 1,6-dihydro-4-(4-morpholinyl)-6-oxo-, ethyl ester
CAS Number:
1260543-99-4
Molecular Formula:
C12H17N3O4
Molecular Weight:
267.2811
MDL Number:
MFCD26744377
IUPAC Name:
ethyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate
InChI:
InChI=1S/C12H17N3O4/c1-2-19-12(17)7-9-13-10(8-11(16)14-9)15-3-5-18-6-4-15/h8H,2-7H2,1H3,(H,13,14,16)
InChI Key:
KSZKVHPIAYRXAH-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.122g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.285g/mol
Monoisotopic Mass:
267.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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