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37587-42-1 | METHYL 1,3,8-TRIMETHYL-2,4,7-TRIOXO-1,2,3,4,7,8-HEXAHYDROPYRIDO[2,3-D]PYR+
CAS No: 37587-42-1 Catalog No: AG01AQT7 MDL No:MFCD16653104
Product Description
Catalog Number:
AG01AQT7
Chemical Name:
METHYL 1,3,8-TRIMETHYL-2,4,7-TRIOXO-1,2,3,4,7,8-HEXAHYDROPYRIDO[2,3-D]PYR+
CAS Number:
37587-42-1
MDL Number:
MFCD16653104
IUPAC Name:
methyl 1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxylate
InChI:
InChI=1S/C12H13N3O5/c1-13-7(16)5-6(11(18)20-4)8-9(13)14(2)12(19)15(3)10(8)17/h5H,1-4H3
InChI Key:
ZOQBJNSEPBHZEE-UHFFFAOYSA-N
Properties
Complexity:
604
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:
0
Isotope Atom Count:
0
Molecular Weight:
279.252g/mol
Monoisotopic Mass:
279.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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