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310431-29-9 | Pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid, 1,4-dihydro-5-methyl-4-oxo-, methyl ester
CAS No: 310431-29-9 Catalog No: AG0031YY MDL No:MFCD10565691
Product Description
Catalog Number:
AG0031YY
Chemical Name:
Pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid, 1,4-dihydro-5-methyl-4-oxo-, methyl ester
CAS Number:
310431-29-9
Molecular Formula:
C9H9N3O3
Molecular Weight:
207.1861
MDL Number:
MFCD10565691
IUPAC Name:
methyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
InChI:
InChI=1S/C9H9N3O3/c1-5-6(9(14)15-2)3-12-7(5)8(13)10-4-11-12/h3-4H,1-2H3,(H,10,11,13)
InChI Key:
PMKPHIGFZNWPQI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cn2c(c1C)c(=O)nc[nH]2
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.189g/mol
Monoisotopic Mass:
207.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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