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89003-81-6 | 2-Anthracenecarboxylic acid, 5-(dimethylamino)pentyl ester
CAS No: 89003-81-6 Catalog No: AG0045KW MDL No:
Product Description
Catalog Number:
AG0045KW
Chemical Name:
2-Anthracenecarboxylic acid, 5-(dimethylamino)pentyl ester
CAS Number:
89003-81-6
Molecular Formula:
C22H25NO2
Molecular Weight:
335.4394
IUPAC Name:
5-(dimethylamino)pentyl anthracene-2-carboxylate
InChI:
InChI=1S/C22H25NO2/c1-23(2)12-6-3-7-13-25-22(24)20-11-10-19-14-17-8-4-5-9-18(17)15-21(19)16-20/h4-5,8-11,14-16H,3,6-7,12-13H2,1-2H3
InChI Key:
USQKMULGDRTNJO-UHFFFAOYSA-N
SMILES:
CN(CCCCCOC(=O)c1ccc2c(c1)cc1c(c2)cccc1)C
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.189g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.447g/mol
Monoisotopic Mass:
335.189g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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