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81-48-1

81-48-1 | 1-Hydroxy-4-(p-tolylamino)anthracene-9,10-dione

CAS No: 81-48-1 Catalog No: AG0038FC MDL No:MFCD00019148

Product Description

Catalog Number:
AG0038FC
Chemical Name:
1-Hydroxy-4-(p-tolylamino)anthracene-9,10-dione
CAS Number:
81-48-1
Molecular Formula:
C21H15NO3
Molecular Weight:
329.3487
MDL Number:
MFCD00019148
IUPAC Name:
1-hydroxy-4-(4-methylanilino)anthracene-9,10-dione
InChI:
InChI=1S/C21H15NO3/c1-12-6-8-13(9-7-12)22-16-10-11-17(23)19-18(16)20(24)14-4-2-3-5-15(14)21(19)25/h2-11,22-23H,1H3
InChI Key:
LJFWQNJLLOFIJK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O
UNII:
350KA7O6HK
NSC Number:
2856

Properties

Complexity:
525  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.105g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
329.355g/mol
Monoisotopic Mass:
329.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5  

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