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86762-22-3 | 9(10H)-Anthracenone, 1-[(4-methylphenyl)amino]-
CAS No: 86762-22-3 Catalog No: AG004SBU MDL No:
Product Description
Catalog Number:
AG004SBU
Chemical Name:
9(10H)-Anthracenone, 1-[(4-methylphenyl)amino]-
CAS Number:
86762-22-3
Molecular Formula:
C21H17NO
Molecular Weight:
299.3658
IUPAC Name:
1-(4-methylanilino)-10H-anthracen-9-one
InChI:
InChI=1S/C21H17NO/c1-14-9-11-17(12-10-14)22-19-8-4-6-16-13-15-5-2-3-7-18(15)21(23)20(16)19/h2-12,22H,13H2,1H3
InChI Key:
XADLYGQYUUOEBI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Nc1cccc2c1C(=O)c1c(C2)cccc1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.131g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.373g/mol
Monoisotopic Mass:
299.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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