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23302-83-2 | 2,5-Cyclohexadien-1-one, 4-[2-(1-methyl-4(1H)-pyridinylidene)ethylidene]-
CAS No: 23302-83-2 Catalog No: AG002MUJ MDL No:
Product Description
Catalog Number:
AG002MUJ
Chemical Name:
2,5-Cyclohexadien-1-one, 4-[2-(1-methyl-4(1H)-pyridinylidene)ethylidene]-
CAS Number:
23302-83-2
Molecular Formula:
C14H13NO
Molecular Weight:
211.2591
IUPAC Name:
4-[2-(1-methylpyridin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C14H13NO/c1-15-10-8-13(9-11-15)3-2-12-4-6-14(16)7-5-12/h2-11H,1H3
InChI Key:
DBOHWMPKJCJANT-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=CC=c2ccn(cc2)C)C=C1
NSC Number:
87344
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.264g/mol
Monoisotopic Mass:
211.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Interaction of protonated merocyanine dyes with amines in organic solvents. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111015 |
| Merocyanine solvatochromic dyes in the study of synergistic effects in mixtures of chloroform with hydrogen-bond accepting solvents. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20090101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Solvent effects in the interaction of methyl-beta-cyclodextrin with solvatochromic merocyanine dyes. | Organic & biomolecular chemistry 20050507 |
| Ion-dipole S(N)2 reaction in acetone-water mixtures. Electrostatic and specific solute-solvent interactions. | The Journal of organic chemistry 20010223 |
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