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Home > Other Building Blocks > 113424-84-3
113424-84-3 | 4(3H)-Pteridinone, 3-ethyl-6-phenyl-, 8-oxide
CAS No: 113424-84-3 Catalog No: AG0008J4 MDL No:
Product Description
Catalog Number:
AG0008J4
Chemical Name:
4(3H)-Pteridinone, 3-ethyl-6-phenyl-, 8-oxide
CAS Number:
113424-84-3
Molecular Formula:
C14H12N4O2
Molecular Weight:
268.2707
IUPAC Name:
3-ethyl-8-oxido-6-phenylpteridin-8-ium-4-one
InChI:
InChI=1S/C14H12N4O2/c1-2-17-9-15-13-12(14(17)19)16-11(8-18(13)20)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChI Key:
ABUAHPODAZIBNM-UHFFFAOYSA-N
SMILES:
CCn1cnc2c(c1=O)nc(c[n+]2[O-])c1ccccc1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.276g/mol
Monoisotopic Mass:
268.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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