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116527-38-9 | 5H-Pyrazolo[3,4-b]pyrazin-5-one, 1-ethenyl-1,4-dihydro-
CAS No: 116527-38-9 Catalog No: AG000COF MDL No:
Product Description
Catalog Number:
AG000COF
Chemical Name:
5H-Pyrazolo[3,4-b]pyrazin-5-one, 1-ethenyl-1,4-dihydro-
CAS Number:
116527-38-9
Molecular Formula:
C7H6N4O
Molecular Weight:
162.1487
IUPAC Name:
1-ethenyl-4H-pyrazolo[3,4-b]pyrazin-5-one
InChI:
InChI=1S/C7H6N4O/c1-2-11-7-5(3-9-11)10-6(12)4-8-7/h2-4H,1H2,(H,10,12)
InChI Key:
WTUPAFHROXOFKB-UHFFFAOYSA-N
SMILES:
C=Cn1ncc2c1ncc(=O)[nH]2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.152g/mol
Monoisotopic Mass:
162.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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