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89003-80-5

89003-80-5 | 2-Anthracenecarboxylic acid, 11-aminoundecyl ester

CAS No: 89003-80-5 Catalog No: AG00469L MDL No:

Product Description

Catalog Number:
AG00469L
Chemical Name:
2-Anthracenecarboxylic acid, 11-aminoundecyl ester
CAS Number:
89003-80-5
Molecular Formula:
C26H33NO2
Molecular Weight:
391.5457
IUPAC Name:
11-aminoundecyl anthracene-2-carboxylate
InChI:
InChI=1S/C26H33NO2/c27-16-10-6-4-2-1-3-5-7-11-17-29-26(28)24-15-14-23-18-21-12-8-9-13-22(21)19-25(23)20-24/h8-9,12-15,18-20H,1-7,10-11,16-17,27H2
InChI Key:
XEGKCSYDPQHHJL-UHFFFAOYSA-N
SMILES:
NCCCCCCCCCCCOC(=O)c1ccc2c(c1)cc1c(c2)cccc1

Properties

Complexity:
466  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.251g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
391.555g/mol
Monoisotopic Mass:
391.251g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2  

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