Home Other Building Blocks 4(1H)-Pteridinone, 7-phenyl-

4(1H)-Pteridinone, 7-phenyl-

CAS No.:
70504-15-3
Catalog Number:
AG01APZF
Molecular Formula:
C12H8N4O
Molecular Weight:
224.2181
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Product Description
Catalog Number:
AG01APZF
Chemical Name:
4(1H)-Pteridinone, 7-phenyl-
CAS Number:
70504-15-3
Molecular Formula:
C12H8N4O
Molecular Weight:
224.2181
MDL Number:
MFCD00234772
IUPAC Name:
7-phenyl-3H-pteridin-4-one
InChI:
InChI=1S/C12H8N4O/c17-12-10-11(14-7-15-12)16-9(6-13-10)8-4-2-1-3-5-8/h1-7H,(H,14,15,16,17)
InChI Key:
CDPVXHVRRKILEV-UHFFFAOYSA-N
SMILES:
Oc1ncnc2c1ncc(n2)c1ccccc1
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.07g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.223g/mol
Monoisotopic Mass:
224.07g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties