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Phenyl acridine-9-carboxylate

CAS No.:
109392-90-7
Catalog Number:
AG0082GC
Molecular Formula:
C20H13NO2
Molecular Weight:
299.3227
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Product Description
Catalog Number:
AG0082GC
Chemical Name:
Phenyl acridine-9-carboxylate
CAS Number:
109392-90-7
Molecular Formula:
C20H13NO2
Molecular Weight:
299.3227
MDL Number:
MFCD00075288
IUPAC Name:
phenyl acridine-9-carboxylate
InChI:
InChI=1S/C20H13NO2/c22-20(23-14-8-2-1-3-9-14)19-15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-13H
InChI Key:
QIYUZWMXMSNPRG-UHFFFAOYSA-N
SMILES:
O=C(c1c2ccccc2nc2c1cccc2)Oc1ccccc1
Properties
Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.095g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.329g/mol
Monoisotopic Mass:
299.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Literature
Title Journal
10-Methyl-9-phenoxy-carbonyl-acridinium trifluoro-methane-sulfonate monohydrate. Acta crystallographica. Section E, Structure reports online 20100401
Properties