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869647-91-6 | 1H-Imidazo[4',5':4,5]furo[2,3-d]pyrimidine(9CI)
CAS No: 869647-91-6 Catalog No: AG008E7K MDL No:
Product Description
Catalog Number:
AG008E7K
Chemical Name:
1H-Imidazo[4',5':4,5]furo[2,3-d]pyrimidine(9CI)
CAS Number:
869647-91-6
Molecular Formula:
C7H4N4O
Molecular Weight:
160.1329
IUPAC Name:
7-oxa-3,5,9,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaene
InChI:
InChI=1S/C7H4N4O/c1-4-5-7(11-3-9-5)12-6(4)10-2-8-1/h1-3H,(H,9,11)
InChI Key:
VXJBOELFQBZQDY-UHFFFAOYSA-N
SMILES:
c1ncc2c(n1)oc1c2[nH]cn1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.039g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.136g/mol
Monoisotopic Mass:
160.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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