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795277-70-2 | 1H-Imidazo[1,2-c]pyrrolo[2,3-e]pyrimidine(9CI)
CAS No: 795277-70-2 Catalog No: AG0051E3 MDL No:
Product Description
Catalog Number:
AG0051E3
Chemical Name:
1H-Imidazo[1,2-c]pyrrolo[2,3-e]pyrimidine(9CI)
CAS Number:
795277-70-2
Molecular Formula:
C8H6N4
Molecular Weight:
158.1600
IUPAC Name:
3,6,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene
InChI:
InChI=1S/C8H6N4/c1-2-9-7-6(1)11-5-12-4-3-10-8(7)12/h1-5,9H
InChI Key:
WKUZWNQPTNIAAB-UHFFFAOYSA-N
SMILES:
c1cc2c([nH]1)c1nccn1cn2
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.164g/mol
Monoisotopic Mass:
158.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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