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465539-50-8 | Pyrrolo[3,4-f]benzimidazole-5,7(1H,6H)-dione (9CI)
CAS No: 465539-50-8 Catalog No: AG00E6OY MDL No:
Product Description
Catalog Number:
AG00E6OY
Chemical Name:
Pyrrolo[3,4-f]benzimidazole-5,7(1H,6H)-dione (9CI)
CAS Number:
465539-50-8
IUPAC Name:
3H-pyrrolo[3,4-f]benzimidazole-5,7-dione
InChI:
InChI=1S/C9H5N3O2/c13-8-4-1-6-7(11-3-10-6)2-5(4)9(14)12-8/h1-3H,(H,10,11)(H,12,13,14)
InChI Key:
PGTIXTMEYKATRQ-UHFFFAOYSA-N
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.158g/mol
Monoisotopic Mass:
187.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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