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101904-53-4 | 9(10H)-Acridinone, 2-methyl-7-[(4-methylphenyl)amino]-
CAS No: 101904-53-4 Catalog No: AG0005WS MDL No:
Product Description
Catalog Number:
AG0005WS
Chemical Name:
9(10H)-Acridinone, 2-methyl-7-[(4-methylphenyl)amino]-
CAS Number:
101904-53-4
Molecular Formula:
C21H18N2O
Molecular Weight:
314.3804
IUPAC Name:
2-methyl-7-(4-methylanilino)-10H-acridin-9-one
InChI:
InChI=1S/C21H18N2O/c1-13-3-6-15(7-4-13)22-16-8-10-20-18(12-16)21(24)17-11-14(2)5-9-19(17)23-20/h3-12,22H,1-2H3,(H,23,24)
InChI Key:
KIUUEKSFWREDJD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Nc1ccc2c(c1)c(=O)c1c([nH]2)ccc(c1)C
UNII:
HB35YME413
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.142g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.388g/mol
Monoisotopic Mass:
314.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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