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177485-64-2

177485-64-2 | 3H-1,4,8b-Triazaacenaphthylene-3,5(4H)-dione (9CI)

CAS No: 177485-64-2 Catalog No: AG0025CM MDL No:

Product Description

Catalog Number:
AG0025CM
Chemical Name:
3H-1,4,8b-Triazaacenaphthylene-3,5(4H)-dione (9CI)
CAS Number:
177485-64-2
Molecular Formula:
C9H5N3O2
Molecular Weight:
187.1549
IUPAC Name:
2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraene-5,7-dione
InChI:
InChI=1S/C9H5N3O2/c13-8-5-2-1-3-7-10-4-6(12(5)7)9(14)11-8/h1-4H,(H,11,13,14)
InChI Key:
IBLXHGHUMZWKRK-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)c2n3c1cccc3nc2

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:
1  
Isotope Atom Count:
0
Molecular Weight:
187.158g/mol
Monoisotopic Mass:
187.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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