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75655-10-6 | 4H-Imidazo[4,5,1-ij]quinoline-2,6(1H,5H)-dione
CAS No: 75655-10-6 Catalog No: AG005IY9 MDL No:MFCD24566098
Product Description
Catalog Number:
AG005IY9
Chemical Name:
4H-Imidazo[4,5,1-ij]quinoline-2,6(1H,5H)-dione
CAS Number:
75655-10-6
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD24566098
IUPAC Name:
1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,9-dione
InChI:
InChI=1S/C10H8N2O2/c13-8-4-5-12-9-6(8)2-1-3-7(9)11-10(12)14/h1-3H,4-5H2,(H,11,14)
InChI Key:
VOKXAYCAPQEMSK-UHFFFAOYSA-N
SMILES:
O=C1CCn2c3c1cccc3[nH]c2=O
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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