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57821-19-9 | ETHYL 1,3-DIMETHYL-2,4,7-TRIOXO-1,2,3,4,7,8-HEXAHYDROPYRIDO[2,3-D]PYRIMID+
CAS No: 57821-19-9 Catalog No: AG01AQHM MDL No:MFCD16631743
Product Description
Catalog Number:
AG01AQHM
Chemical Name:
ETHYL 1,3-DIMETHYL-2,4,7-TRIOXO-1,2,3,4,7,8-HEXAHYDROPYRIDO[2,3-D]PYRIMID+
CAS Number:
57821-19-9
MDL Number:
MFCD16631743
IUPAC Name:
ethyl 1,3-dimethyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C12H13N3O5/c1-4-20-11(18)7-5-6-8(13-9(7)16)14(2)12(19)15(3)10(6)17/h5H,4H2,1-3H3,(H,13,16)
InChI Key:
ZMLHVHPGOLIAEF-UHFFFAOYSA-N
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.086g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.252g/mol
Monoisotopic Mass:
279.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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