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102170-04-7 | 6,7-Pteridinedione, 5,8-dihydro-8-methyl-
CAS No: 102170-04-7 Catalog No: AG0006SE MDL No:
Product Description
Catalog Number:
AG0006SE
Chemical Name:
6,7-Pteridinedione, 5,8-dihydro-8-methyl-
CAS Number:
102170-04-7
Molecular Formula:
C7H6N4O2
Molecular Weight:
178.1481
IUPAC Name:
8-methyl-5H-pteridine-6,7-dione
InChI:
InChI=1S/C7H6N4O2/c1-11-5-4(2-8-3-9-5)10-6(12)7(11)13/h2-3H,1H3,(H,10,12)
InChI Key:
QFYGVOBRKODZFA-UHFFFAOYSA-N
SMILES:
O=c1c(=O)[nH]c2c(n1C)ncnc2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.151g/mol
Monoisotopic Mass:
178.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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