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89003-89-4 | 2-Anthracenecarboxylic acid, 16-(dimethylamino)hexadecyl ester
CAS No: 89003-89-4 Catalog No: AG0045KR MDL No:
Product Description
Catalog Number:
AG0045KR
Chemical Name:
2-Anthracenecarboxylic acid, 16-(dimethylamino)hexadecyl ester
CAS Number:
89003-89-4
Molecular Formula:
C33H47NO2
Molecular Weight:
489.7318
IUPAC Name:
16-(dimethylamino)hexadecyl anthracene-2-carboxylate
InChI:
InChI=1S/C33H47NO2/c1-34(2)23-17-13-11-9-7-5-3-4-6-8-10-12-14-18-24-36-33(35)31-22-21-30-25-28-19-15-16-20-29(28)26-32(30)27-31/h15-16,19-22,25-27H,3-14,17-18,23-24H2,1-2H3
InChI Key:
LIOZGLYWDRVLRF-UHFFFAOYSA-N
SMILES:
CN(CCCCCCCCCCCCCCCCOC(=O)c1ccc2c(c1)cc1c(c2)cccc1)C
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
489.361g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
489.744g/mol
Monoisotopic Mass:
489.361g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.9
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