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40775-75-5 | 2-hydroxy-1,5,7,9-tetrazabicyclo[4.3.0]nona-2,5,7-trien-4-one
CAS No: 40775-75-5 Catalog No: AG0075AB MDL No:
Product Description
Catalog Number:
AG0075AB
Chemical Name:
2-hydroxy-1,5,7,9-tetrazabicyclo[4.3.0]nona-2,5,7-trien-4-one
CAS Number:
40775-75-5
Molecular Formula:
C5H4N4O2
Molecular Weight:
152.1109
IUPAC Name:
7-hydroxy-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
InChI:
InChI=1S/C5H4N4O2/c10-3-1-4(11)9-5(8-3)6-2-7-9/h1-2,11H,(H,6,7,8,10)
InChI Key:
MGSUQXAMLTWXCB-UHFFFAOYSA-N
SMILES:
O=c1cc(O)n2c(n1)nc[nH]2
NSC Number:
93884
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.033g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
152.113g/mol
Monoisotopic Mass:
152.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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