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1245648-09-2 | Pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-, ethyl ester
CAS No: 1245648-09-2 Catalog No: AG000MBM MDL No:
Product Description
Catalog Number:
AG000MBM
Chemical Name:
Pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-, ethyl ester
CAS Number:
1245648-09-2
Molecular Formula:
C9H9N3O4
Molecular Weight:
223.1855
IUPAC Name:
ethyl 2,4-dioxo-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
InChI:
InChI=1S/C9H9N3O4/c1-2-16-8(14)5-3-6-7(13)10-9(15)11-12(6)4-5/h3-4H,2H2,1H3,(H2,10,11,13,15)
InChI Key:
BDHDGKDBPAJZEG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn2c(c1)c(=O)[nH]c(=O)[nH]2
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.188g/mol
Monoisotopic Mass:
223.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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