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31293-07-9 | 1H-Dibenzo[de,h]quinoline-2,7-dione
CAS No: 31293-07-9 Catalog No: AG007HRU MDL No:
Product Description
Catalog Number:
AG007HRU
Chemical Name:
1H-Dibenzo[de,h]quinoline-2,7-dione
CAS Number:
31293-07-9
Molecular Formula:
C16H9NO2
Molecular Weight:
247.2482
IUPAC Name:
16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione
InChI:
InChI=1S/C16H9NO2/c18-13-8-9-4-3-7-12-14(9)15(17-13)10-5-1-2-6-11(10)16(12)19/h1-8H,(H,17,18)
InChI Key:
NHOYROCTVIDOJP-UHFFFAOYSA-N
SMILES:
O=c1cc2cccc3c2c([nH]1)c1ccccc1c3=O
EC Number:
250-551-8
Properties
Complexity:
619
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.063g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.253g/mol
Monoisotopic Mass:
247.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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