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77762-30-2 | 6H-PYRIMIDO[2',1':2,3]IMIDAZO[4,5-B]INDOLE
CAS No: 77762-30-2 Catalog No: AG008OHP MDL No:
Product Description
Catalog Number:
AG008OHP
Chemical Name:
6H-PYRIMIDO[2',1':2,3]IMIDAZO[4,5-B]INDOLE
CAS Number:
77762-30-2
Molecular Formula:
C12H8N4
Molecular Weight:
208.2187
IUPAC Name:
2,6,8,16-tetrazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
InChI:
InChI=1S/C12H8N4/c1-2-5-9-8(4-1)10-11(14-9)16-7-3-6-13-12(16)15-10/h1-7,14H
InChI Key:
NZCNBDIYEPILFR-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)[nH]c1c2nc2n1cccn2
UNII:
MOU0F5C3SV
NSC Number:
363437
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.224g/mol
Monoisotopic Mass:
208.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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