Home Carboxys methyl 4-oxo-3H,4H-pyrrolo[2,1-f][1,2,4]triazine-7-carboxylate

methyl 4-oxo-3H,4H-pyrrolo[2,1-f][1,2,4]triazine-7-carboxylate

CAS No.:
1909305-94-7
Catalog Number:
AG01C5EU
Molecular Formula:
C8H7N3O3
Molecular Weight:
193.1595
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Product Description
Catalog Number:
AG01C5EU
Chemical Name:
methyl 4-oxo-3H,4H-pyrrolo[2,1-f][1,2,4]triazine-7-carboxylate
CAS Number:
1909305-94-7
Molecular Formula:
C8H7N3O3
Molecular Weight:
193.1595
MDL Number:
MFCD29763393
IUPAC Name:
methyl 4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-7-carboxylate
InChI:
InChI=1S/C8H7N3O3/c1-14-8(13)6-3-2-5-7(12)9-4-10-11(5)6/h2-4H,1H3,(H,9,10,12)
InChI Key:
AALWSQGISTWDGK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2n1nc[nH]c2=O
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.049g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.162g/mol
Monoisotopic Mass:
193.049g/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  
Properties