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113163-25-0 | Benzo[h]quinoline-7,8-dione
CAS No: 113163-25-0 Catalog No: AG007T2R MDL No:
Product Description
Catalog Number:
AG007T2R
Chemical Name:
Benzo[h]quinoline-7,8-dione
CAS Number:
113163-25-0
Molecular Formula:
C13H7NO2
Molecular Weight:
209.2002
IUPAC Name:
benzo[h]quinoline-7,8-dione
InChI:
InChI=1S/C13H7NO2/c15-11-6-5-9-10(13(11)16)4-3-8-2-1-7-14-12(8)9/h1-7H
InChI Key:
NJAIJEOBNSLCMK-UHFFFAOYSA-N
SMILES:
O=C1C=Cc2c(C1=O)ccc1c2nccc1
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.204g/mol
Monoisotopic Mass:
209.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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