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53115-01-8 | 2,5-BIS((E)-2-[1-ETHYL-2(1H)-QUINOLINYLIDENE]ETHYLIDENE)CYCLOPENTANONE
CAS No: 53115-01-8 Catalog No: AG00DP6L MDL No:
Product Description
Catalog Number:
AG00DP6L
Chemical Name:
2,5-BIS((E)-2-[1-ETHYL-2(1H)-QUINOLINYLIDENE]ETHYLIDENE)CYCLOPENTANONE
CAS Number:
53115-01-8
IUPAC Name:
2,5-bis[2-(1-ethylquinolin-2-ylidene)ethylidene]cyclopentan-1-one
InChI:
InChI=1S/C31H30N2O/c1-3-32-27(19-15-23-9-5-7-11-29(23)32)21-17-25-13-14-26(31(25)34)18-22-28-20-16-24-10-6-8-12-30(24)33(28)4-2/h5-12,15-22H,3-4,13-14H2,1-2H3
InChI Key:
CKZJFOIJQOLTJP-UHFFFAOYSA-N
Properties
Complexity:
886
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.236g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.594g/mol
Monoisotopic Mass:
446.236g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4
XLogP3:
7.2
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