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101861-36-3 | 6(5H)-Pteridinone, 7,8-dihydro-7-hydroxy-5-methyl-
CAS No: 101861-36-3 Catalog No: AG0005RE MDL No:
Product Description
Catalog Number:
AG0005RE
Chemical Name:
6(5H)-Pteridinone, 7,8-dihydro-7-hydroxy-5-methyl-
CAS Number:
101861-36-3
Molecular Formula:
C7H8N4O2
Molecular Weight:
180.1640
IUPAC Name:
7-hydroxy-5-methyl-7,8-dihydropteridin-6-one
InChI:
InChI=1S/C7H8N4O2/c1-11-4-2-8-3-9-5(4)10-6(12)7(11)13/h2-3,6,12H,1H3,(H,8,9,10)
InChI Key:
ZBGAUULEZSORND-UHFFFAOYSA-N
SMILES:
O=C1C(O)Nc2c(N1C)cncn2
NSC Number:
99402
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.065g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.167g/mol
Monoisotopic Mass:
180.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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