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113546-82-0 | 1H-Phenalene-1,3(2H)-dione, 6-(methylamino)-2-phenyl-
CAS No: 113546-82-0 Catalog No: AG0008YG MDL No:
Product Description
Catalog Number:
AG0008YG
Chemical Name:
1H-Phenalene-1,3(2H)-dione, 6-(methylamino)-2-phenyl-
CAS Number:
113546-82-0
Molecular Formula:
C20H15NO2
Molecular Weight:
301.3386
IUPAC Name:
6-(methylamino)-2-phenylphenalene-1,3-dione
InChI:
InChI=1S/C20H15NO2/c1-21-16-11-10-15-18-13(16)8-5-9-14(18)19(22)17(20(15)23)12-6-3-2-4-7-12/h2-11,17,21H,1H3
InChI Key:
ILTAEUIOZYVKAB-UHFFFAOYSA-N
SMILES:
CNc1ccc2c3c1cccc3C(=O)C(C2=O)c1ccccc1
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.11g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.345g/mol
Monoisotopic Mass:
301.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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