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2944-19-6 | 9,10-Anthracenedione, 1-[(4-methylphenyl)amino]-
CAS No: 2944-19-6 Catalog No: AG002YE2 MDL No:
Product Description
Catalog Number:
AG002YE2
Chemical Name:
9,10-Anthracenedione, 1-[(4-methylphenyl)amino]-
CAS Number:
2944-19-6
Molecular Formula:
C21H15NO2
Molecular Weight:
313.3493
IUPAC Name:
1-(4-methylanilino)anthracene-9,10-dione
InChI:
InChI=1S/C21H15NO2/c1-13-9-11-14(12-10-13)22-18-8-4-7-17-19(18)21(24)16-6-3-2-5-15(16)20(17)23/h2-12,22H,1H3
InChI Key:
LMJVMVCQHQVJDB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O
EC Number:
220-944-9
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.11g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.356g/mol
Monoisotopic Mass:
313.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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