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Home > Pyridines > 127801-83-6
127801-83-6 | 1H-Pyridazino[3,4,5-de]quinazoline-3,8(2H,7H)-dione
CAS No: 127801-83-6 Catalog No: AG000XG2 MDL No:MFCD16622794
Product Description
Catalog Number:
AG000XG2
Chemical Name:
1H-Pyridazino[3,4,5-de]quinazoline-3,8(2H,7H)-dione
CAS Number:
127801-83-6
Molecular Formula:
C9H6N4O2
Molecular Weight:
202.1695
MDL Number:
MFCD16622794
IUPAC Name:
2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraene-4,11-dione
InChI:
InChI=1S/C9H6N4O2/c14-8-4-2-1-3-5-6(4)7(12-13-8)11-9(15)10-5/h1-3H,(H,13,14)(H2,10,11,12,15)
InChI Key:
UMJQZOCJROWRAX-UHFFFAOYSA-N
SMILES:
O=c1nc2[nH][nH]c(=O)c3c2c([nH]1)ccc3
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
202.173g/mol
Monoisotopic Mass:
202.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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