Home Carboxys ethyl 7-hydroxypteridine-6-carboxylate

ethyl 7-hydroxypteridine-6-carboxylate

CAS No.:
90323-87-8
Catalog Number:
AG01B2GS
Molecular Formula:
C9H8N4O3
Molecular Weight:
220.1848
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Product Description
Catalog Number:
AG01B2GS
Chemical Name:
ethyl 7-hydroxypteridine-6-carboxylate
CAS Number:
90323-87-8
Molecular Formula:
C9H8N4O3
Molecular Weight:
220.1848
MDL Number:
MFCD30497489
IUPAC Name:
ethyl 7-oxo-8H-pteridine-6-carboxylate
InChI:
InChI=1S/C9H8N4O3/c1-2-16-9(15)6-8(14)13-7-5(12-6)3-10-4-11-7/h3-4H,2H2,1H3,(H,10,11,13,14)
InChI Key:
BKCIUNXQYXUSJY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc2cncnc2nc1O
Properties
Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.06g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.188g/mol
Monoisotopic Mass:
220.06g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
93.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties