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130530-00-6 | 9H-Fluorene-4-carboxylic acid, 9-(dicyanomethylene)-, octyl ester
CAS No: 130530-00-6 Catalog No: AG000ULH MDL No:
Product Description
Catalog Number:
AG000ULH
Chemical Name:
9H-Fluorene-4-carboxylic acid, 9-(dicyanomethylene)-, octyl ester
CAS Number:
130530-00-6
Molecular Formula:
C25H24N2O2
Molecular Weight:
384.4703
IUPAC Name:
octyl 9-(dicyanomethylidene)fluorene-4-carboxylate
InChI:
InChI=1S/C25H24N2O2/c1-2-3-4-5-6-9-15-29-25(28)22-14-10-13-21-23(18(16-26)17-27)19-11-7-8-12-20(19)24(21)22/h7-8,10-14H,2-6,9,15H2,1H3
InChI Key:
RSANGBWCMYRGTF-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)c1cccc2c1c1ccccc1C2=C(C#N)C#N
Properties
Complexity:
689
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.184g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.479g/mol
Monoisotopic Mass:
384.184g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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